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

C17H13ClFN3O4S — CID 139453144

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3ccccc3F)cn2)c1
InChIInChI=1S/C17H13ClFN3O4S/c1-26-11-6-7-12(18)16(8-11)27(24,25)21-17(23)14-9-22(10-20-14)15-5-3-2-4-13(15)19/h2-10H,1H3,(H,21,23)
InChIKeyCBKSNCMWKDWXOJ-UHFFFAOYSA-N
MW409.83 g/mol
LogP2.79
Rot. Bonds5

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide (PubChem CID 139453144) has the molecular formula C17H13ClFN3O4S and a molecular weight of 409.83 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
PubChem CID139453144
Molecular FormulaC17H13ClFN3O4S
Molecular Weight409.83 g/mol
Exact Mass409.03
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3ccccc3F)cn2)c1
InChIInChI=1S/C17H13ClFN3O4S/c1-26-11-6-7-12(18)16(8-11)27(24,25)21-17(23)14-9-22(10-20-14)15-5-3-2-4-13(15)19/h2-10H,1H3,(H,21,23)
InChIKeyCBKSNCMWKDWXOJ-UHFFFAOYSA-N
XLogP2.79
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorophenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453060
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)imidazole-4-carboxamide
CID 139453200
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)sulfonylimidazole-4-carboxamide
CID 139452945
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453250
N-(2-chlorophenyl)sulfonyl-1-(2,6-dichlorophenyl)imidazole-4-carboxamide
CID 139453065
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453275
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453276
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453068
N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139452892
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide (CID 139453144) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3ccccc3F)cn2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is CBKSNCMWKDWXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O4S/c1-26-11-6-7-12(18)16(8-11)27(24,25)21-17(23)14-9-22(10-20-14)15-5-3-2-4-13(15)19/h2-10H,1H3,(H,21,23).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 409.83 g/mol, XLogP of 2.79, 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-1-(2-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).