Chemical ID: 6123388

COCCNC(=O)c1c([nH]nn1)NS(=O)(=O)c2ccccc2
Chemical ID:
6123388
Name [?]:
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-triazole-4-carboxamide
SMILES [?]:
COCCNC(=O)c1c([nH]nn1)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C12H15N5O4S/c1-21-8-7-13-12(18)10-11(15-17-14-10)16-22(19,20)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,18)(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,4,3,17,8,9,6,5,12,10,13,11,7,15,16,2,14/E:(3,4)(5,6)(19,20)/CRV:22.6/rA:22nCOCCNCOCCNNNNSOOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s9;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N5O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.7281
Area:513.69
Solvation:-4.11415
Coulombic:-51.5938
Bond Count [?]
All:23
Single:15
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:325.345
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.94
LogP (Chemaxon):-0.62

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