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Chemical ID: 3907898
Chemical ID:
3907898
Name [?]:
3-amino-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCc2cccnc2)N
InChi [?]:
InChI=1/C12H13N3O2S/c13-11-4-1-5-12(7-11)18(16,17)15-9-10-3-2-6-14-8-10/h1-8,15H,9,13H2
InChi Info:
AuxInfo=1/0/N:1,14,13,2,6,15,4,17,11,12,3,5,18,16,10,8,9,7/E:(16,17)/CRV:18.6/rA:18nCCCCCCSOONCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;d13;s14;d15;d12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N3O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27818 |
Area: | 446.375 |
Solvation: | -2.8812 |
Coulombic: | -33.058 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.317 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.51 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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