Chemical ID: 6123382

Cc1cccc(c1)NC(=O)c2c([nH]nn2)NS(=O)(=O)c3ccccc3
Chemical ID:
6123382
Name [?]:
5-(benzenesulfonamido)-N-(m-tolyl)-1H-triazole-4-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2c([nH]nn2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C16H15N5O3S/c1-11-6-5-7-12(10-11)17-16(22)14-15(19-21-18-14)20-25(23,24)13-8-3-2-4-9-13/h2-10H,1H3,(H,17,22)(H2,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,4,3,5,21,25,7,2,6,20,11,12,9,8,15,13,16,14,10,18,19,17/E:(3,4)(8,9)(23,24)/CRV:25.6/rA:25nCCCCCCCNCOCCNNNNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;s13;s11d14;s12;s16;d17;d17;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N5O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8205
Area:543.304
Solvation:-2.7621
Coulombic:-44.6209
Bond Count [?]
All:27
Single:16
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.388
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.13
LogP (Chemaxon):2.17

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Descriptor Annotations

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