4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide

C21H20ClF3N2O3S — CID 24679147

IUPAC4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C21H20ClF3N2O3S/c22-18-10-5-15(21(23,24)25)11-19(18)31(29,30)27(17-8-9-17)12-13-1-3-14(4-2-13)20(28)26-16-6-7-16/h1-5,10-11,16-17H,6-9,12H2,(H,26,28)
InChIKeyKPTNUQFOBHEFGX-UHFFFAOYSA-N
MW472.92 g/mol
LogP4.60
Rot. Bonds7

About 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide

4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide (PubChem CID 24679147) has the molecular formula C21H20ClF3N2O3S and a molecular weight of 472.92 g/mol. Its IUPAC name is 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
PubChem CID24679147
Molecular FormulaC21H20ClF3N2O3S
Molecular Weight472.92 g/mol
Exact Mass472.08
IUPAC Name4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C21H20ClF3N2O3S/c22-18-10-5-15(21(23,24)25)11-19(18)31(29,30)27(17-8-9-17)12-13-1-3-14(4-2-13)20(28)26-16-6-7-16/h1-5,10-11,16-17H,6-9,12H2,(H,26,28)
InChIKeyKPTNUQFOBHEFGX-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]benzamide
CID 24679131
4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
CID 24679241
4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31818714
N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide
CID 24679174
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393
4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 43578756
2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide
CID 8841202
[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]methyl trifluoromethanesulfonate
CID 86656575
4-chloro-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 43000186
4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052704
fluoro 2-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,1-difluoroethanesulfonate
CID 87301295
4-[[(5-tert-butyl-2,3-dihydroxyphenyl)methyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34897257

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide (CID 24679147) is 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The InChIKey is KPTNUQFOBHEFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N2O3S/c22-18-10-5-15(21(23,24)25)11-19(18)31(29,30)27(17-8-9-17)12-13-1-3-14(4-2-13)20(28)26-16-6-7-16/h1-5,10-11,16-17H,6-9,12H2,(H,26,28).
What are the key properties of 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide has a molecular weight of 472.92 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 24679147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).