Chemical ID: 6933520

CS(=O)(=O)Nn1cnnc1
Chemical ID:
6933520
Name [?]:
N-(1,2,4-triazol-4-yl)methanesulfonamide
SMILES [?]:
CS(=O)(=O)Nn1cnnc1
InChi [?]:
InChI=1/C3H6N4O2S/c1-10(8,9)6-7-2-4-5-3-7/h2-3,6H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,10,8,9,5,6,3,4,2/E:(2,3)(4,5)(8,9)/CRV:10.6/rA:10nCSOONNCNNC/rB:s1;d2;d2;s2;s5;s6;d7;s8;s6d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C3H6N4O2S
All Atoms:16
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.01239
Area:293.359
Solvation:-3.32159
Coulombic:-12.1452
Bond Count [?]
All:10
Single:6
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.171
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.38
LogP (Chemaxon):-2.82

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