N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide

C17H15F3N2O4S — CID 129065802

IUPACN-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide
SMILESO=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O4S/c18-17(19,20)13-3-1-2-4-14(13)21-11-5-7-12(8-6-11)27(24,25)22-15-9-10-26-16(15)23/h1-8,15,21-22H,9-10H2/t15-/m0/s1
InChIKeyUKCGLGIRSUWQMD-HNNXBMFYSA-N
MW400.38 g/mol
LogP3.04
Rot. Bonds5

About N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide

N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide (PubChem CID 129065802) has the molecular formula C17H15F3N2O4S and a molecular weight of 400.38 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide
PubChem CID129065802
Molecular FormulaC17H15F3N2O4S
Molecular Weight400.38 g/mol
Exact Mass400.07
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide
SMILESO=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O4S/c18-17(19,20)13-3-1-2-4-14(13)21-11-5-7-12(8-6-11)27(24,25)22-15-9-10-26-16(15)23/h1-8,15,21-22H,9-10H2/t15-/m0/s1
InChIKeyUKCGLGIRSUWQMD-HNNXBMFYSA-N
XLogP3.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide (CID 129065802) is N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide is O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide?
The InChIKey is UKCGLGIRSUWQMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15F3N2O4S/c18-17(19,20)13-3-1-2-4-14(13)21-11-5-7-12(8-6-11)27(24,25)22-15-9-10-26-16(15)23/h1-8,15,21-22H,9-10H2/t15-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide?
N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide has a molecular weight of 400.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-4-[2-(trifluoromethyl)anilino]benzenesulfonamide is sourced from PubChem (CID 129065802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).