N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide

C18H15ClFN3O4S — CID 130437700

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3ccccc3F)[nH]c2C)c1
InChIInChI=1S/C18H15ClFN3O4S/c1-10-16(22-17(21-10)12-5-3-4-6-14(12)20)18(24)23-28(25,26)15-9-11(27-2)7-8-13(15)19/h3-9H,1-2H3,(H,21,22)(H,23,24)
InChIKeyVHBWQFDGUYIAEV-UHFFFAOYSA-N
MW423.85 g/mol
LogP3.30
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 130437700) 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)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID130437700
Molecular FormulaC18H15ClFN3O4S
Molecular Weight423.85 g/mol
Exact Mass423.05
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3ccccc3F)[nH]c2C)c1
InChIInChI=1S/C18H15ClFN3O4S/c1-10-16(22-17(21-10)12-5-3-4-6-14(12)20)18(24)23-28(25,26)15-9-11(27-2)7-8-13(15)19/h3-9H,1-2H3,(H,21,22)(H,23,24)
InChIKeyVHBWQFDGUYIAEV-UHFFFAOYSA-N
XLogP3.30
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(diaminomethylidene)-5-methyl-1H-imidazole-4-carboxamide;methanesulfonic acid
CID 24905407
2-chloro-N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]-5-methoxybenzenesulfonamide
CID 72106420
2-(5-chloro-2-methoxyphenyl)-N-(diaminomethylene)-5-methyl-1H-imidazole-4-carboxamide dimethanesulfonate
CID 24905408
N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 130437730
3-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-2-iminopropan-1-one
CID 130437803
3-(2-Chloro-5-methoxyphenyl)sulfonyl-1-[2-(2-fluoro-6-methylphenyl)-1,5-dimethylimidazol-4-yl]-2-iminopropan-1-one
CID 130437873
2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
CID 130437896
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide
CID 139451164
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139451192
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide
CID 139453284
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,5-difluorophenyl)-5-propan-2-ylimidazole-4-carboxamide
CID 139453289
2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(2,6-difluorophenyl)-1H-imidazol-5-yl]prop-2-en-1-one
CID 146335016

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 130437700) is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3ccccc3F)[nH]c2C)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is VHBWQFDGUYIAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O4S/c1-10-16(22-17(21-10)12-5-3-4-6-14(12)20)18(24)23-28(25,26)15-9-11(27-2)7-8-13(15)19/h3-9H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 423.85 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 130437700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).