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

C13H11ClF3N3O4S — CID 139453244

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(C(F)(F)F)n2)c1
InChIInChI=1S/C13H11ClF3N3O4S/c1-20-6-9(18-12(20)13(15,16)17)11(21)19-25(22,23)10-5-7(24-2)3-4-8(10)14/h3-6H,1-2H3,(H,19,21)
InChIKeyNLYFBFWQAFNJLG-UHFFFAOYSA-N
MW397.76 g/mol
LogP2.22
Rot. Bonds4

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 139453244) has the molecular formula C13H11ClF3N3O4S and a molecular weight of 397.76 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID139453244
Molecular FormulaC13H11ClF3N3O4S
Molecular Weight397.76 g/mol
Exact Mass397.01
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(C(F)(F)F)n2)c1
InChIInChI=1S/C13H11ClF3N3O4S/c1-20-6-9(18-12(20)13(15,16)17)11(21)19-25(22,23)10-5-7(24-2)3-4-8(10)14/h3-6H,1-2H3,(H,19,21)
InChIKeyNLYFBFWQAFNJLG-UHFFFAOYSA-N
XLogP2.22
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Fluazaindolizine
CID 46944253
Sdccgsbi-0662961.P001
CID 134791404
N-[(2-chloro-5-methoxyphenyl)sulfonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 56952251
N-[(2-chloro-5-methoxyphenyl)sulfonyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 87056208
CID 90332087
CID 90332087
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 90900083
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(1-fluoroethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 123742020
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
5-chloro-N-(2-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
CID 139452878
5-chloro-N-(4-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide
CID 139452879
N-(4-butoxyphenyl)sulfonyl-5-chloro-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452881

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide (CID 139453244) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(C)c(C(F)(F)F)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is NLYFBFWQAFNJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O4S/c1-20-6-9(18-12(20)13(15,16)17)11(21)19-25(22,23)10-5-7(24-2)3-4-8(10)14/h3-6H,1-2H3,(H,19,21).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 397.76 g/mol, XLogP of 2.22, 4 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-methyl-2-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).