Chemical ID: 4911253

Cc1ccc(cc1)S(=O)(=O)NC(=O)n2ccnc2C
Chemical ID:
4911253
Name [?]:
2-methyl-N-(p-tolylsulfonyl)imidazole-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2ccnc2C
InChi [?]:
InChI=1/C12H13N3O3S/c1-9-3-5-11(6-4-9)19(17,18)14-12(16)15-8-7-13-10(15)2/h3-8H,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,19,3,7,4,6,16,15,2,18,5,12,17,11,14,13,9,10,8/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCONCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s12;s14;d15;s16;s14d17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.95199
Area:443.789
Solvation:-3.14272
Coulombic:-33.3826
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.316
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.69
LogP (Chemaxon):1.07

Name Annotations

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Descriptor Annotations

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