Chemical ID: 6934852

Cc1ccc(cc1)S(=O)(=O)NC(=O)n2cnc3c2cccc3
Chemical ID:
6934852
Name [?]:
N-(p-tolylsulfonyl)benzoimidazole-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2cnc3c2cccc3
InChi [?]:
InChI=1/C15H13N3O3S/c1-11-6-8-12(9-7-11)22(20,21)17-15(19)18-10-16-13-4-2-3-5-14(13)18/h2-10H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,3,7,4,6,15,2,5,17,18,12,16,11,14,13,9,10,8/E:(6,7)(8,9)(20,21)/CRV:22.6/rA:22nCCCCCCCSOONCONCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s12;s14;d15;s16;s14s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O3S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.07312
Area:483.919
Solvation:-3.02485
Coulombic:-35.6408
Bond Count [?]
All:24
Single:14
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.81
LogP (Chemaxon):2.83

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