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

C17H13ClFN3O3S — CID 130437730

IUPACN-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2ccccc2F)nc1C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClFN3O3S/c1-10-15(21-16(20-10)11-6-2-4-8-13(11)19)17(23)22-26(24,25)14-9-5-3-7-12(14)18/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyAVPFKGBZYQKEMU-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.30
Rot. Bonds4

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

N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 130437730) has the molecular formula C17H13ClFN3O3S and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID130437730
Molecular FormulaC17H13ClFN3O3S
Molecular Weight393.83 g/mol
Exact Mass393.04
IUPAC NameN-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2ccccc2F)nc1C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClFN3O3S/c1-10-15(21-16(20-10)11-6-2-4-8-13(11)19)17(23)22-26(24,25)14-9-5-3-7-12(14)18/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyAVPFKGBZYQKEMU-UHFFFAOYSA-N
XLogP3.30
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(diaminomethylidene)-2-(3,5-dichlorophenyl)-5-methyl-1H-imidazole-4-carboxamide;methanesulfonic acid
CID 44564945
2-(2-chlorophenyl)-N-(diaminomethylidene)-5-methyl-1H-imidazole-4-carboxamide;methanesulfonic acid
CID 25014483
2-(3-chlorophenyl)-N-(diaminomethylidene)-5-methyl-1H-imidazole-4-carboxamide;methanesulfonic acid
CID 44564944
2-(4-chlorophenyl)-N-(diaminomethylidene)-5-methyl-1H-imidazole-4-carboxamide;methanesulfonic acid
CID 25014486
2-(2-chlorophenyl)-N-(diaminomethylene)-5-methyl-1H-imidazole-4-carboxamide dimethanesulfonate
CID 25014484
2-(3-chlorophenyl)-N-(diaminomethylene)-5-methyl-1H-imidazole-4-carboxamide methanesulfonate
CID 25014485
2-(4-chlorophenyl)-N-(diaminomethylene)-5-methyl-1H-imidazole-4-carboxamide dimethanesulfonate
CID 25014487
N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1H-imidazol-5-yl)acetamide
CID 69581108
N-[1-[4-(4-fluorophenyl)-5-formyl-1H-imidazol-2-yl]-2-methylpropyl]-N-methylbenzenesulfonamide
CID 87888587
N-(2-chlorophenyl)sulfonyl-5-ethyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 130437687
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 130437700
5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437707

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 130437730) is N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2ccccc2F)nc1C(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is AVPFKGBZYQKEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S/c1-10-15(21-16(20-10)11-6-2-4-8-13(11)19)17(23)22-26(24,25)14-9-5-3-7-12(14)18/h2-9H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 130437730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).