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Chemical ID: 6729668

Chemical ID:

6729668

Name [?]:

4-amino-N-(1H-pyridin-2-ylmethyl)benzenesulfonamide

SMILES [?]:

c1cc[nH+]c(c1)CNS(=O)(=O)c2ccc(cc2)N

InChi [?]:

InChI=1/C12H13N3O2S/c13-10-4-6-12(7-5-10)18(16,17)15-9-11-3-1-2-8-14-11/h1-8,15H,9,13H2/p+1

InChi Info:

AuxInfo=1/1/N:1,2,6,14,16,13,17,3,7,15,5,12,18,4,8,10,11,9/E:(4,5)(6,7)(16,17)/CRV:18.6/rA:18nCCCN+CCCNSOOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄N₃O₂S+
All Atoms:	32
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-24.5777
Area:	446.464
Solvation:	-35.7393
Coulombic:	-18.3527

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	264.325
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	0.1
LogP (Chemaxon):	0.76

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