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Chemical ID: 6934852
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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