2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide

C18H18FNO3S — CID 19005250

IUPAC2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1=CCC(CO)(c2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO3S/c19-15-7-5-14(6-8-15)18(12-21)10-9-13(11-18)16-3-1-2-4-17(16)24(20,22)23/h1-9,21H,10-12H2,(H2,20,22,23)
InChIKeyYGUUHIWFUYPSRZ-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.58
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide

2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 19005250) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID19005250
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1=CCC(CO)(c2ccc(F)cc2)C1
InChIInChI=1S/C18H18FNO3S/c19-15-7-5-14(6-8-15)18(12-21)10-9-13(11-18)16-3-1-2-4-17(16)24(20,22)23/h1-9,21H,10-12H2,(H2,20,22,23)
InChIKeyYGUUHIWFUYPSRZ-UHFFFAOYSA-N
XLogP2.58
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Hydroxy-2-methylpropan-2-yl)benzene-1-sulfonamide
CID 11064226
4'-(Hydroxymethyl)-(1,1'-biphenyl)-2-sulfonamide
CID 56604620
(R)-2-(3-fluorophenyl)-3-hydroxy-2-methylpropyl benzenesulfonate
CID 166174460
(R)-3-hydroxy-2-methyl-2-(3-(trifluoromethyl)phenyl)propyl benzenesulfonate
CID 166174471
3,4,5-trifluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
CID 11976084
4-fluoro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
CID 11976087
4-[5-chloro-3-(4-fluorophenyl)-2H-furan-3-yl]benzenesulfonamide
CID 21712542
4-[4,4-Bis(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917266
4-[2-(4-Fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917427
4-[4-(Hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917529
4-[2-(4-Fluorophenyl)-4,4-bis(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917661
4-[5-(4-Fluorophenyl)-3-(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370529

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide (CID 19005250) is 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1C1=CCC(CO)(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is YGUUHIWFUYPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-15-7-5-14(6-8-15)18(12-21)10-9-13(11-18)16-3-1-2-4-17(16)24(20,22)23/h1-9,21H,10-12H2,(H2,20,22,23).
What are the key properties of 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide?
2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 347.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-(hydroxymethyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 19005250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).