N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C14H14F3NO3S2 — CID 86264144

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3S2/c15-14(16,17)11-2-1-3-12(8-11)23(20,21)18-6-4-13(19)10-5-7-22-9-10/h1-3,5,7-9,13,18-19H,4,6H2
InChIKeyFNWRXKLORNKNII-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.17
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 86264144) has the molecular formula C14H14F3NO3S2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID86264144
Molecular FormulaC14H14F3NO3S2
Molecular Weight365.40 g/mol
Exact Mass365.04
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3S2/c15-14(16,17)11-2-1-3-12(8-11)23(20,21)18-6-4-13(19)10-5-7-22-9-10/h1-3,5,7-9,13,18-19H,4,6H2
InChIKeyFNWRXKLORNKNII-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-3-thiophen-3-ylpropyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 86264144) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1ccsc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FNWRXKLORNKNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3S2/c15-14(16,17)11-2-1-3-12(8-11)23(20,21)18-6-4-13(19)10-5-7-22-9-10/h1-3,5,7-9,13,18-19H,4,6H2.
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 86264144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).