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Chemical ID: 4950695
Chemical ID:
4950695
Name [?]:
N-(3-pyridyl)pyridine-3-sulfonamide
SMILES [?]:
c1cc(cnc1)NS(=O)(=O)c2cccnc2
InChi [?]:
InChI=1/C10H9N3O2S/c14-16(15,10-4-2-6-12-8-10)13-9-3-1-5-11-7-9/h1-8,13H
InChi Info:
AuxInfo=1/0/N:1,13,2,12,6,14,4,16,3,11,5,15,7,9,10,8/E:(14,15)/CRV:16.6/rA:16nCCCCNCNSOOCCCCNC/rB:s1;d2;s3;d4;d1s5;s3;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90479 |
Area: | 384.248 |
Solvation: | -2.70141 |
Coulombic: | -20.8341 |
Bond Count [?]
All: | 17 |
Single: | 9 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.21 |
LogP (Chemaxon): | -0.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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