Chemical ID: 6123360

Cc1ccc(c(c1)C)NC(=O)c2c([nH]nn2)NS(=O)(=O)c3ccccc3
Chemical ID:
6123360
Name [?]:
5-(benzenesulfonamido)-N-(2,4-dimethylphenyl)-1H-triazole-4-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2c([nH]nn2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C17H17N5O3S/c1-11-8-9-14(12(2)10-11)18-17(23)15-16(20-22-19-15)21-26(24,25)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,23)(H2,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,24,23,25,22,26,3,4,7,2,6,21,5,12,13,10,9,16,14,17,15,11,19,20,18/E:(4,5)(6,7)(24,25)/CRV:26.6/rA:26nCCCCCCCCNCOCCNNNNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;s14;s12d15;s13;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N5O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3727
Area:564.55
Solvation:-2.74102
Coulombic:-44.5134
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:371.415
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.36
LogP (Chemaxon):1.98

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Descriptor Annotations

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