Chemical ID: 6123386

CNC(=O)c1c([nH]nn1)NS(=O)(=O)c2ccccc2
Chemical ID:
6123386
Name [?]:
5-(benzenesulfonamido)-N-methyl-1H-triazole-4-carboxamide
SMILES [?]:
CNC(=O)c1c([nH]nn1)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C10H11N5O3S/c1-11-10(16)8-9(13-15-12-8)14-19(17,18)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,16)(H2,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,14,5,6,3,2,9,7,10,8,4,12,13,11/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCNCOCCNNNNSOOCCCCCC/rB:s1;s2;d3;s3;d5;s6;s7;s5d8;s6;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N5O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.54165
Area:442.133
Solvation:-2.51168
Coulombic:-44.1236
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.292
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.13
LogP (Chemaxon):-0.46

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