2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide

C18H15ClFN3O4S — CID 148762909

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C18H15ClFN3O4S/c1-23-10-13(21-17(23)16-11(19)6-5-7-12(16)20)18(24)22-28(25,26)15-9-4-3-8-14(15)27-2/h3-10H,1-2H3,(H,22,24)
InChIKeyOGXAMIKARVTDNY-UHFFFAOYSA-N
MW423.85 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide

2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 148762909) has the molecular formula C18H15ClFN3O4S and a molecular weight of 423.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID148762909
Molecular FormulaC18H15ClFN3O4S
Molecular Weight423.85 g/mol
Exact Mass423.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C18H15ClFN3O4S/c1-23-10-13(21-17(23)16-11(19)6-5-7-12(16)20)18(24)22-28(25,26)15-9-4-3-8-14(15)27-2/h3-10H,1-2H3,(H,22,24)
InChIKeyOGXAMIKARVTDNY-UHFFFAOYSA-N
XLogP3.01
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide (CID 148762909) is 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide is COc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2Cl)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is OGXAMIKARVTDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O4S/c1-23-10-13(21-17(23)16-11(19)6-5-7-12(16)20)18(24)22-28(25,26)15-9-4-3-8-14(15)27-2/h3-10H,1-2H3,(H,22,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 423.85 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 148762909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).