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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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Experimental Annotations
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Descriptor Annotations
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