Chemical ID: 6450502

CNS(=O)(=O)c1ccc(nc1)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue