N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide

C15H18FNO3S — CID 105361499

IUPACN-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1C#CCCO)C1CCCC1
InChIInChI=1S/C15H18FNO3S/c16-13-8-9-15(12(11-13)5-3-4-10-18)17-21(19,20)14-6-1-2-7-14/h8-9,11,14,17-18H,1-2,4,6-7,10H2
InChIKeyFICQUNNSQGSLJS-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.24
Rot. Bonds4

About N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide

N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide (PubChem CID 105361499) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide
PubChem CID105361499
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC NameN-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1C#CCCO)C1CCCC1
InChIInChI=1S/C15H18FNO3S/c16-13-8-9-15(12(11-13)5-3-4-10-18)17-21(19,20)14-6-1-2-7-14/h8-9,11,14,17-18H,1-2,4,6-7,10H2
InChIKeyFICQUNNSQGSLJS-UHFFFAOYSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]propane-2-sulfonamide
CID 60864580
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide
CID 105361521
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 54926202
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]ethanesulfonamide
CID 54922451
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
CID 64795142
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232817
1-(dimethylsulfamoylamino)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzene
CID 54922497
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]butane-1-sulfonamide
CID 60814929
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]oxane-4-sulfonamide
CID 81280588

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide (CID 105361499) is N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide is O=S(=O)(Nc1ccc(F)cc1C#CCCO)C1CCCC1.
What is the InChIKey of N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide?
The InChIKey is FICQUNNSQGSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c16-13-8-9-15(12(11-13)5-3-4-10-18)17-21(19,20)14-6-1-2-7-14/h8-9,11,14,17-18H,1-2,4,6-7,10H2.
What are the key properties of N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide?
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).