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Chemical ID: 4911253
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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Experimental Annotations
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Descriptor Annotations
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