6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide

C17H17FN2O3S — CID 22917252

IUPAC6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC(CO)C2)nc1
InChIInChI=1S/C17H17FN2O3S/c18-13-3-1-12(2-4-13)15-7-11(10-21)8-16(15)17-6-5-14(9-20-17)24(19,22)23/h1-6,9,11,21H,7-8,10H2,(H2,19,22,23)
InChIKeyKLOJJTUIFQTMKB-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.18
Rot. Bonds4

About 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide

6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide (PubChem CID 22917252) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide
PubChem CID22917252
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC(CO)C2)nc1
InChIInChI=1S/C17H17FN2O3S/c18-13-3-1-12(2-4-13)15-7-11(10-21)8-16(15)17-6-5-14(9-20-17)24(19,22)23/h1-6,9,11,21H,7-8,10H2,(H2,19,22,23)
InChIKeyKLOJJTUIFQTMKB-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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide (CID 22917252) is 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC(CO)C2)nc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide?
The InChIKey is KLOJJTUIFQTMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-13-3-1-12(2-4-13)15-7-11(10-21)8-16(15)17-6-5-14(9-20-17)24(19,22)23/h1-6,9,11,21H,7-8,10H2,(H2,19,22,23).
What are the key properties of 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide?
6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide 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 6-[2-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 22917252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).