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Chemical ID: 4724964

Chemical ID:

4724964

Name [?]:

2-amino-N-(4-phenylbutyl)benzenesulfonamide

SMILES [?]:

c1ccc(cc1)CCCCNS(=O)(=O)c2ccccc2N

InChi [?]:

InChI=1/C16H20N2O2S/c17-15-11-4-5-12-16(15)21(19,20)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,18H,6-7,10,13,17H2

InChi Info:

AuxInfo=1/0/N:1,2,6,18,17,8,9,3,5,7,19,16,10,4,20,15,21,11,13,14,12/E:(2,3)(8,9)(19,20)/CRV:21.6/rA:21nCCCCCCCCCCNSOOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.6869
Area:	520.077
Solvation:	-2.31501
Coulombic:	-31.6579

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	304.408
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	3.49
LogP (Chemaxon):	3.61

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value