4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide

C17H17FN2O3S — CID 22917663

IUPAC4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(F)cn3)CC(CO)C2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-13-3-6-17(20-9-13)16-8-11(10-21)7-15(16)12-1-4-14(5-2-12)24(19,22)23/h1-6,9,11,21H,7-8,10H2,(H2,19,22,23)
InChIKeyAYQYOQQUZOVRSH-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.18
Rot. Bonds4

About 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide

4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917663) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917663
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(F)cn3)CC(CO)C2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-13-3-6-17(20-9-13)16-8-11(10-21)7-15(16)12-1-4-14(5-2-12)24(19,22)23/h1-6,9,11,21H,7-8,10H2,(H2,19,22,23)
InChIKeyAYQYOQQUZOVRSH-UHFFFAOYSA-N
XLogP2.18
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]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 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide (CID 22917663) is 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cn3)CC(CO)C2)cc1.
What is the InChIKey of 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is AYQYOQQUZOVRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-13-3-6-17(20-9-13)16-8-11(10-21)7-15(16)12-1-4-14(5-2-12)24(19,22)23/h1-6,9,11,21H,7-8,10H2,(H2,19,22,23).
What are the key properties of 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-pyridinyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).