5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide

C17H12Cl3N3O3S — CID 155116473

IUPAC5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCn1c(-c2ccccc2Cl)nc(C(=O)NS(=O)(=O)c2ccccc2Cl)c1Cl
InChIInChI=1S/C17H12Cl3N3O3S/c1-23-15(20)14(21-16(23)10-6-2-3-7-11(10)18)17(24)22-27(25,26)13-9-5-4-8-12(13)19/h2-9H,1H3,(H,22,24)
InChIKeyMKVAJMJDGNYQGA-UHFFFAOYSA-N
MW444.73 g/mol
LogP4.17
Rot. Bonds4

About 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide

5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 155116473) has the molecular formula C17H12Cl3N3O3S and a molecular weight of 444.73 g/mol. Its IUPAC name is 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID155116473
Molecular FormulaC17H12Cl3N3O3S
Molecular Weight444.73 g/mol
Exact Mass442.97
IUPAC Name5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCn1c(-c2ccccc2Cl)nc(C(=O)NS(=O)(=O)c2ccccc2Cl)c1Cl
InChIInChI=1S/C17H12Cl3N3O3S/c1-23-15(20)14(21-16(23)10-6-2-3-7-11(10)18)17(24)22-27(25,26)13-9-5-4-8-12(13)19/h2-9H,1H3,(H,22,24)
InChIKeyMKVAJMJDGNYQGA-UHFFFAOYSA-N
XLogP4.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide (CID 155116473) is 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide is Cn1c(-c2ccccc2Cl)nc(C(=O)NS(=O)(=O)c2ccccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is MKVAJMJDGNYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O3S/c1-23-15(20)14(21-16(23)10-6-2-3-7-11(10)18)17(24)22-27(25,26)13-9-5-4-8-12(13)19/h2-9H,1H3,(H,22,24).
What are the key properties of 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide?
5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 444.73 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).