Chemical ID: 6123369

Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3ccccc3
Chemical ID:
6123369
Name [?]:
N-phenyl-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C16H15N5O3S/c1-11-7-9-13(10-8-11)25(23,24)20-15-14(18-21-19-15)16(22)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,22)(H2,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,3,7,4,6,2,20,5,13,12,17,19,14,16,11,15,18,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:25.6/rA:25nCCCCCCCSOONCCNNNCONCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N5O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.859
Area:545.056
Solvation:-2.76745
Coulombic:-44.5678
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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