Chemical ID: 6123377

Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3ccc(c(c3)C)C
Chemical ID:
6123377
Name [?]:
N-(3,4-dimethylphenyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3ccc(c(c3)C)C
InChi [?]:
InChI=1/C18H19N5O3S/c1-11-4-8-15(9-5-11)27(25,26)22-17-16(20-23-21-17)18(24)19-14-7-6-12(2)13(3)10-14/h4-10H,1-3H3,(H,19,24)(H2,20,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,26,3,7,22,21,4,6,25,2,23,24,20,5,13,12,17,19,14,16,11,15,18,9,10,8/E:(4,5)(8,9)(25,26)/CRV:27.6/rA:27nCCCCCCCSOONCCNNNCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s13;d14;s12s15;s13;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N5O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.884
Area:586.765
Solvation:-2.78517
Coulombic:-44.0938
Bond Count [?]
All:29
Single:18
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.441
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.0
LogP (Chemaxon):3.1

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Descriptor Annotations

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