5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide

C11H9ClF3N3O2S — CID 43415186

IUPAC5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C11H9ClF3N3O2S/c1-18-6-16-10(9(18)12)21(19,20)17-8-4-2-7(3-5-8)11(13,14)15/h2-6,17H,1H3
InChIKeyAOFHFACIXSFBJW-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.89
Rot. Bonds3

About 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide (PubChem CID 43415186) has the molecular formula C11H9ClF3N3O2S and a molecular weight of 339.73 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
PubChem CID43415186
Molecular FormulaC11H9ClF3N3O2S
Molecular Weight339.73 g/mol
Exact Mass339.01
IUPAC Name5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C11H9ClF3N3O2S/c1-18-6-16-10(9(18)12)21(19,20)17-8-4-2-7(3-5-8)11(13,14)15/h2-6,17H,1H3
InChIKeyAOFHFACIXSFBJW-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 55589335
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 47092092
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
5-chloro-N-(2-fluoro-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415195

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide (CID 43415186) is 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The InChIKey is AOFHFACIXSFBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2S/c1-18-6-16-10(9(18)12)21(19,20)17-8-4-2-7(3-5-8)11(13,14)15/h2-6,17H,1H3.
What are the key properties of 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide has a molecular weight of 339.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 43415186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).