N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide

C14H10F3NO3S — CID 131852564

IUPACN-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)13(19)18-10-6-8-12(9-7-10)22(20,21)11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyMCTBSGXYYPPABL-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.02
Rot. Bonds3

About N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 131852564) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID131852564
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC NameN-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)13(19)18-10-6-8-12(9-7-10)22(20,21)11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyMCTBSGXYYPPABL-UHFFFAOYSA-N
XLogP3.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide 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

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 42960098
N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-(hydroxymethyl)propanamide
CID 142638017
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 55903709
2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 55878321
2,2,2-trifluoro-N-[4-[methyl(naphthalen-2-yl)sulfamoyl]phenyl]acetamide
CID 55878446
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
N-[4-(4-chloropiperazin-1-yl)sulfonylphenyl]-2,2,2-trifluoroacetamide
CID 122549445
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide (CID 131852564) is N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is MCTBSGXYYPPABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-14(16,17)13(19)18-10-6-8-12(9-7-10)22(20,21)11-4-2-1-3-5-11/h1-9H,(H,18,19).
What are the key properties of N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 329.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 131852564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).