N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide

C15H13BrF3NO2S — CID 123900424

IUPACN-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(Br)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3NO2S/c1-2-20(13-7-4-6-12(16)10-13)23(21,22)14-8-3-5-11(9-14)15(17,18)19/h3-10H,2H2,1H3
InChIKeyWDSCEIRRCVAHSI-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.68
Rot. Bonds4

About N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide

N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 123900424) has the molecular formula C15H13BrF3NO2S and a molecular weight of 408.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID123900424
Molecular FormulaC15H13BrF3NO2S
Molecular Weight408.24 g/mol
Exact Mass406.98
IUPAC NameN-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(Br)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3NO2S/c1-2-20(13-7-4-6-12(16)10-13)23(21,22)14-8-3-5-11(9-14)15(17,18)19/h3-10H,2H2,1H3
InChIKeyWDSCEIRRCVAHSI-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-bromophenyl)-N-ethyl-3-(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

N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123764339
N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 123979056
N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 167747926
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 130192949
N-[3-[2-(2-chloro-6-fluorophenyl)ethoxy]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123304968
1-acetyl-N-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 3242578
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 79378419
N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
CID 62101486
2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 7308169

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide (CID 123900424) is N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide is CCN(c1cccc(Br)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WDSCEIRRCVAHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO2S/c1-2-20(13-7-4-6-12(16)10-13)23(21,22)14-8-3-5-11(9-14)15(17,18)19/h3-10H,2H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 408.24 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 123900424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).