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Chemical ID: 6450502
Chemical ID:
6450502
Name [?]:
6-chloro-N-methyl-pyridine-3-sulfonamide
SMILES [?]:
CNS(=O)(=O)c1ccc(nc1)Cl
InChi [?]:
InChI=1/C6H7ClN2O2S/c1-8-12(10,11)5-2-3-6(7)9-4-5/h2-4,8H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,11,6,9,12,2,10,4,5,3/E:(10,11)/CRV:12.6/rA:12nCNSOOCCCCNCCl/rB:s1;s2;d3;d3;s3;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H7ClN2O2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61539 |
Area: | 349.777 |
Solvation: | -2.12903 |
Coulombic: | -16.9228 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.651 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.33 |
LogP (Chemaxon): | 0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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