4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide

C11H11ClF3NO2S — CID 114616396

IUPAC4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H11ClF3NO2S/c1-7(2)6-16-19(17,18)10-4-3-8(12)5-9(10)11(13,14)15/h3-5,16H,1,6H2,2H3
InChIKeyHHFKJEGMLJWNAN-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.21
Rot. Bonds4

About 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 114616396) has the molecular formula C11H11ClF3NO2S and a molecular weight of 313.73 g/mol. Its IUPAC name is 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID114616396
Molecular FormulaC11H11ClF3NO2S
Molecular Weight313.73 g/mol
Exact Mass313.02
IUPAC Name4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H11ClF3NO2S/c1-7(2)6-16-19(17,18)10-4-3-8(12)5-9(10)11(13,14)15/h3-5,16H,1,6H2,2H3
InChIKeyHHFKJEGMLJWNAN-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-chloro-N-(2-methylprop-2-enyl)-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

4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407
4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 66109305
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75444567
4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 103918517
4-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 60539732
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide (CID 114616396) is 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HHFKJEGMLJWNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2S/c1-7(2)6-16-19(17,18)10-4-3-8(12)5-9(10)11(13,14)15/h3-5,16H,1,6H2,2H3.
What are the key properties of 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 313.73 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 114616396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).