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Chemical ID: 7970492

Chemical ID:

7970492

Name [?]:

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

SMILES [?]:

CCc1ccc(cc1)CCNS(=O)(=O)c2ccc(cc2)N

InChi [?]:

InChI=1/C16H20N2O2S/c1-2-13-3-5-14(6-4-13)11-12-18-21(19,20)16-9-7-15(17)8-10-16/h3-10,18H,2,11-12,17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,4,8,5,7,17,19,16,20,9,10,3,6,18,15,21,11,13,14,12/E:(3,4)(5,6)(7,8)(9,10)(19,20)/CRV:21.6/rA:21nCCCCCCCCCCNSOOCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:-.0187,1.5258,.0104;.0021,-.0041,.002;.7309,-.5033,1.2229;2.097,-.7095,1.1762;2.7656,-1.1675,2.2961;2.0682,-1.4187,3.4629;.7022,-1.2116,3.5099;.0343,-.7496,2.3912;2.7969,-1.9189,4.6834;3.2649,-.7276,5.5218;3.9733,-1.2139,6.7084;4.9062,-.1754,7.5993;5.3968,-.9386,8.6929;5.7092,.5253,6.6593;3.8294,1.0297,8.3013;3.5516,2.1938,7.6085;2.708,3.1404,8.1559;2.1384,2.9221,9.4039;2.4196,1.7516,10.0971;3.2595,.8066,9.5414;1.2851,3.8775,9.9606;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀N₂O₂S
All Atoms:	41
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7318
Area:	521.273
Solvation:	-2.29999
Coulombic:	-30.4203

Bond Count [?]

All:	42
Single:	34
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	304.408
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	2.32
LogP (Chemaxon):	3.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value