N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C15H12F3NO3S — CID 58597511

IUPACN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)12-8-6-11(7-9-12)14(20)10-19-23(21,22)13-4-2-1-3-5-13/h1-9,19H,10H2
InChIKeyKIAFMGKYPDPQFC-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.87
Rot. Bonds5

About N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 58597511) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID58597511
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC NameN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)12-8-6-11(7-9-12)14(20)10-19-23(21,22)13-4-2-1-3-5-13/h1-9,19H,10H2
InChIKeyKIAFMGKYPDPQFC-UHFFFAOYSA-N
XLogP2.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]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-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275
CID 175394574
CID 175394574
1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 102266574
N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
CID 167626658
N-(phenoxymethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 70132879
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N-[4-(2-sulfanylacetyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11462996
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
1-phenyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylethanone
CID 175018322
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
2-oxo-2-[4-(trifluoromethyl)phenyl]ethanesulfonic acid
CID 115049943
2-[[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfonylamino]acetic acid
CID 142094910

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 58597511) is N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is KIAFMGKYPDPQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c16-15(17,18)12-8-6-11(7-9-12)14(20)10-19-23(21,22)13-4-2-1-3-5-13/h1-9,19H,10H2.
What are the key properties of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 343.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 58597511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).