Chemical ID: 6123415

Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)NCCOC
Chemical ID:
6123415
Name [?]:
N-(2-methoxyethyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)NCCOC
InChi [?]:
InChI=1/C13H17N5O4S/c1-9-3-5-10(6-4-9)23(20,21)17-12-11(15-18-16-12)13(19)14-7-8-22-2/h3-6H,7-8H2,1-2H3,(H,14,19)(H2,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,4,6,20,21,2,5,13,12,17,19,14,16,11,15,18,9,10,22,8/E:(3,4)(5,6)(20,21)/CRV:23.6/rA:23nCCCCCCCSOONCCNNNCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s13;d14;s12s15;s13;d17;s17;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N5O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.2642
Area:535.204
Solvation:-4.1159
Coulombic:-51.3537
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.371
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.37
LogP (Chemaxon):-0.16

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Descriptor Annotations

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