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

C18H15ClFN3O4S — CID 155116224

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3ccccc3F)n2)c1
InChIInChI=1S/C18H15ClFN3O4S/c1-23-10-15(21-17(23)12-5-3-4-6-14(12)20)18(24)22-28(25,26)16-9-11(27-2)7-8-13(16)19/h3-10H,1-2H3,(H,22,24)
InChIKeyNLCXNUJJEHWIGS-UHFFFAOYSA-N
MW423.85 g/mol
LogP3.01
Rot. Bonds5

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116224) has the molecular formula C18H15ClFN3O4S and a molecular weight of 423.85 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID155116224
Molecular FormulaC18H15ClFN3O4S
Molecular Weight423.85 g/mol
Exact Mass423.05
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3ccccc3F)n2)c1
InChIInChI=1S/C18H15ClFN3O4S/c1-23-10-15(21-17(23)12-5-3-4-6-14(12)20)18(24)22-28(25,26)16-9-11(27-2)7-8-13(16)19/h3-10H,1-2H3,(H,22,24)
InChIKeyNLCXNUJJEHWIGS-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 N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide (CID 155116224) is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3ccccc3F)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is NLCXNUJJEHWIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O4S/c1-23-10-15(21-17(23)12-5-3-4-6-14(12)20)18(24)22-28(25,26)16-9-11(27-2)7-8-13(16)19/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-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 N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).