4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide

C23H18F3NO3S — CID 143133265

IUPAC4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C23H18F3NO3S/c1-16(28)19-10-12-22(13-11-19)31(29,30)27-21-7-3-5-18(15-21)9-8-17-4-2-6-20(14-17)23(24,25)26/h2-7,10-16,27-28H,1H3
InChIKeyDZBYFOQLRYILPG-UHFFFAOYSA-N
MW445.46 g/mol
LogP4.96
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide

4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide (PubChem CID 143133265) has the molecular formula C23H18F3NO3S and a molecular weight of 445.46 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide
PubChem CID143133265
Molecular FormulaC23H18F3NO3S
Molecular Weight445.46 g/mol
Exact Mass445.10
IUPAC Name4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C23H18F3NO3S/c1-16(28)19-10-12-22(13-11-19)31(29,30)27-21-7-3-5-18(15-21)9-8-17-4-2-6-20(14-17)23(24,25)26/h2-7,10-16,27-28H,1H3
InChIKeyDZBYFOQLRYILPG-UHFFFAOYSA-N
XLogP4.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]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-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
1-[[4-(sulfinatoamino)phenyl]sulfonylamino]-3-(trifluoromethyl)benzene
CID 162773483
N-(3-prop-1-ynylphenyl)benzenesulfonamide
CID 155934453
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-[(1S)-1-cyclopropylethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 9305504
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide (CID 143133265) is 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide?
The InChIKey is DZBYFOQLRYILPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO3S/c1-16(28)19-10-12-22(13-11-19)31(29,30)27-21-7-3-5-18(15-21)9-8-17-4-2-6-20(14-17)23(24,25)26/h2-7,10-16,27-28H,1H3.
What are the key properties of 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide?
4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide has a molecular weight of 445.46 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 143133265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).