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Chemical ID: 7970498

Chemical ID:

7970498

Name [?]:

4-amino-N-[2-(4-isopropylphenyl)ethyl]benzenesulfonamide

SMILES [?]:

CC(C)c1ccc(cc1)CCNS(=O)(=O)c2ccc(cc2)N

InChi [?]:

InChI=1/C17H22N2O2S/c1-13(2)15-5-3-14(4-6-15)11-12-19-22(20,21)17-9-7-16(18)8-10-17/h3-10,13,19H,11-12,18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,6,8,5,9,18,20,17,21,10,11,2,7,4,19,16,22,12,14,15,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:22.6/rA:22nCCCCCCCCCCCNSOOCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;d13;s13;s16;d17;s18;d19;d16s20;s19;/rC:-.0187,1.5258,.0104;.0021,-.0041,.002;.7421,-.5109,1.2415;-1.4117,-.5257,.0127;-2.2591,-.2043,1.0565;-3.556,-.6827,1.0663;-4.0056,-1.4823,.0321;-3.1585,-1.8029,-1.0121;-1.8629,-1.3209,-1.0241;-5.4191,-2.0047,.0433;-6.3366,-1.0086,-.6687;-7.7107,-1.5165,-.6578;-8.9707,-.5036,-1.0168;-10.1394,-1.3108,-.9731;-8.7531,.671,-.2472;-8.7898,-.0138,-2.6996;-8.0562,1.1154,-3.0144;-7.9125,1.5022,-4.3323;-8.5057,.7555,-5.3423;-9.2419,-.3783,-5.0226;-9.3769,-.7626,-3.703;-8.3627,1.144,-6.6763;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂N₂O₂S
All Atoms:	44
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2123
Area:	541.633
Solvation:	-2.3285
Coulombic:	-30.7098

Bond Count [?]

All:	45
Single:	37
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	318.435
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	2.83
LogP (Chemaxon):	3.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value