N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide

C18H16ClFN4O3S — CID 146335028

IUPACN-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
SMILESCCc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ncccc2F)n1
InChIInChI=1S/C18H16ClFN4O3S/c1-3-11-6-7-12(19)9-15(11)28(26,27)23-18(25)14-10-24(2)17(22-14)16-13(20)5-4-8-21-16/h4-10H,3H2,1-2H3,(H,23,25)
InChIKeyKZYCKKFQJPYEKU-UHFFFAOYSA-N
MW422.87 g/mol
LogP2.96
Rot. Bonds5

About N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide

N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide (PubChem CID 146335028) has the molecular formula C18H16ClFN4O3S and a molecular weight of 422.87 g/mol. Its IUPAC name is N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
PubChem CID146335028
Molecular FormulaC18H16ClFN4O3S
Molecular Weight422.87 g/mol
Exact Mass422.06
IUPAC NameN-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
SMILESCCc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ncccc2F)n1
InChIInChI=1S/C18H16ClFN4O3S/c1-3-11-6-7-12(19)9-15(11)28(26,27)23-18(25)14-10-24(2)17(22-14)16-13(20)5-4-8-21-16/h4-10H,3H2,1-2H3,(H,23,25)
InChIKeyKZYCKKFQJPYEKU-UHFFFAOYSA-N
XLogP2.96
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide (CID 146335028) is N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide is CCc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1cn(C)c(-c2ncccc2F)n1.
What is the InChIKey of N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide?
The InChIKey is KZYCKKFQJPYEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O3S/c1-3-11-6-7-12(19)9-15(11)28(26,27)23-18(25)14-10-24(2)17(22-14)16-13(20)5-4-8-21-16/h4-10H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide?
N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethylphenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 146335028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).