2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide

C12H14F3NO3S — CID 62521074

IUPAC2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3NO3S/c13-8-3-4-9(11(15)10(8)14)20(18,19)16-12(7-17)5-1-2-6-12/h3-4,16-17H,1-2,5-7H2
InChIKeyQABHCNXKQMZETP-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.69
Rot. Bonds4

About 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide

2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide (PubChem CID 62521074) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
PubChem CID62521074
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3NO3S/c13-8-3-4-9(11(15)10(8)14)20(18,19)16-12(7-17)5-1-2-6-12/h3-4,16-17H,1-2,5-7H2
InChIKeyQABHCNXKQMZETP-UHFFFAOYSA-N
XLogP1.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115455387
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
CID 119980686
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide (CID 62521074) is 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCCC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is QABHCNXKQMZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-8-3-4-9(11(15)10(8)14)20(18,19)16-12(7-17)5-1-2-6-12/h3-4,16-17H,1-2,5-7H2.
What are the key properties of 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 62521074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).