N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C16H14F3NO4S2 — CID 14536163

IUPACN-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESC=CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4S2/c1-2-10-25(21,22)15-9-4-3-8-14(15)20-26(23,24)13-7-5-6-12(11-13)16(17,18)19/h2-9,11,20H,1,10H2
InChIKeyGORCHQUXLVOZRV-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.47
Rot. Bonds6

About N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14536163) has the molecular formula C16H14F3NO4S2 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14536163
Molecular FormulaC16H14F3NO4S2
Molecular Weight405.42 g/mol
Exact Mass405.03
IUPAC NameN-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESC=CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4S2/c1-2-10-25(21,22)15-9-4-3-8-14(15)20-26(23,24)13-7-5-6-12(11-13)16(17,18)19/h2-9,11,20H,1,10H2
InChIKeyGORCHQUXLVOZRV-UHFFFAOYSA-N
XLogP3.47
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-prop-2-enylsulfonylphenyl)-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-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536162
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 78843246
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973
N-[2-[(3,4,5-trichloroanilino)methyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 171342349
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2336757

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 14536163) is N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide is C=CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GORCHQUXLVOZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S2/c1-2-10-25(21,22)15-9-4-3-8-14(15)20-26(23,24)13-7-5-6-12(11-13)16(17,18)19/h2-9,11,20H,1,10H2.
What are the key properties of N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 405.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14536163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).