Chemical ID: 6123384

c1ccc(cc1)CNC(=O)c2c([nH]nn2)NS(=O)(=O)c3ccccc3
Chemical ID:
6123384
Name [?]:
5-(benzenesulfonamido)-N-benzyl-1H-triazole-4-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2c([nH]nn2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C16H15N5O3S/c22-16(17-11-12-7-3-1-4-8-12)14-15(19-21-18-14)20-25(23,24)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,22)(H2,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,6,22,24,3,5,21,25,7,4,20,11,12,9,8,15,13,16,14,10,18,19,17/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:25.6/rA:25nCCCCCCCNCOCCNNNNSOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;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:11.1088
Area:554.992
Solvation:-2.76605
Coulombic:-46.0916
Bond Count [?]
All:27
Single:16
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.388
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):1.32

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Descriptor Annotations

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