4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide

C17H16BrF3N2O2S — CID 133340234

IUPAC4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2(c3ccccc3Br)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H16BrF3N2O2S/c18-14-4-2-1-3-12(14)16(7-8-16)10-23-11-5-6-15(26(22,24)25)13(9-11)17(19,20)21/h1-6,9,23H,7-8,10H2,(H2,22,24,25)
InChIKeyJYQIPLIXTBOEPH-UHFFFAOYSA-N
MW449.29 g/mol
LogP4.26
Rot. Bonds5

About 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide

4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133340234) has the molecular formula C17H16BrF3N2O2S and a molecular weight of 449.29 g/mol. Its IUPAC name is 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133340234
Molecular FormulaC17H16BrF3N2O2S
Molecular Weight449.29 g/mol
Exact Mass448.01
IUPAC Name4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2(c3ccccc3Br)CC2)cc1C(F)(F)F
InChIInChI=1S/C17H16BrF3N2O2S/c18-14-4-2-1-3-12(14)16(7-8-16)10-23-11-5-6-15(26(22,24)25)13(9-11)17(19,20)21/h1-6,9,23H,7-8,10H2,(H2,22,24,25)
InChIKeyJYQIPLIXTBOEPH-UHFFFAOYSA-N
XLogP4.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide 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

2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide
CID 133343755
4-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339413
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 133382987
N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
CID 133339349
4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340231
4-[(4-methylcyclohexyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339090
4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133343058
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 133339931
4-[2-(4-methyl-1H-indol-3-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133329325
4-[[1-(2-chlorophenyl)piperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340297
N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
CID 84598699

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide (CID 133340234) is 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NCC2(c3ccccc3Br)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JYQIPLIXTBOEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O2S/c18-14-4-2-1-3-12(14)16(7-8-16)10-23-11-5-6-15(26(22,24)25)13(9-11)17(19,20)21/h1-6,9,23H,7-8,10H2,(H2,22,24,25).
What are the key properties of 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide?
4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 449.29 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-bromophenyl)cyclopropyl]methylamino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133340234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).