N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide

C19H18ClN3O5S2 — CID 155116421

IUPACN-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1-c1nc(C(=O)NS(=O)(=O)c2ccccc2Cl)cn1C
InChIInChI=1S/C19H18ClN3O5S2/c1-3-29(25,26)16-10-6-4-8-13(16)18-21-15(12-23(18)2)19(24)22-30(27,28)17-11-7-5-9-14(17)20/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyFZLYJSLSQLQHQK-UHFFFAOYSA-N
MW467.96 g/mol
LogP2.65
Rot. Bonds6

About N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide

N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116421) has the molecular formula C19H18ClN3O5S2 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
PubChem CID155116421
Molecular FormulaC19H18ClN3O5S2
Molecular Weight467.96 g/mol
Exact Mass467.04
IUPAC NameN-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1-c1nc(C(=O)NS(=O)(=O)c2ccccc2Cl)cn1C
InChIInChI=1S/C19H18ClN3O5S2/c1-3-29(25,26)16-10-6-4-8-13(16)18-21-15(12-23(18)2)19(24)22-30(27,28)17-11-7-5-9-14(17)20/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyFZLYJSLSQLQHQK-UHFFFAOYSA-N
XLogP2.65
TPSA115.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide (CID 155116421) is N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide is CCS(=O)(=O)c1ccccc1-c1nc(C(=O)NS(=O)(=O)c2ccccc2Cl)cn1C.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is FZLYJSLSQLQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S2/c1-3-29(25,26)16-10-6-4-8-13(16)18-21-15(12-23(18)2)19(24)22-30(27,28)17-11-7-5-9-14(17)20/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide?
N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).