2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide

C18H21F2NO3S2 — CID 121179138

IUPAC2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide
SMILESCC(O)c1ccc(C2(CNS(=O)(=O)c3cc(F)ccc3F)CCCC2)s1
InChIInChI=1S/C18H21F2NO3S2/c1-12(22)15-6-7-17(25-15)18(8-2-3-9-18)11-21-26(23,24)16-10-13(19)4-5-14(16)20/h4-7,10,12,21-22H,2-3,8-9,11H2,1H3
InChIKeyLNXRVEZBOZEJNY-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.87
Rot. Bonds6

About 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide

2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide (PubChem CID 121179138) has the molecular formula C18H21F2NO3S2 and a molecular weight of 401.50 g/mol. Its IUPAC name is 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide
PubChem CID121179138
Molecular FormulaC18H21F2NO3S2
Molecular Weight401.50 g/mol
Exact Mass401.09
IUPAC Name2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide
SMILESCC(O)c1ccc(C2(CNS(=O)(=O)c3cc(F)ccc3F)CCCC2)s1
InChIInChI=1S/C18H21F2NO3S2/c1-12(22)15-6-7-17(25-15)18(8-2-3-9-18)11-21-26(23,24)16-10-13(19)4-5-14(16)20/h4-7,10,12,21-22H,2-3,8-9,11H2,1H3
InChIKeyLNXRVEZBOZEJNY-UHFFFAOYSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide (CID 121179138) is 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide is CC(O)c1ccc(C2(CNS(=O)(=O)c3cc(F)ccc3F)CCCC2)s1.
What is the InChIKey of 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is LNXRVEZBOZEJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3S2/c1-12(22)15-6-7-17(25-15)18(8-2-3-9-18)11-21-26(23,24)16-10-13(19)4-5-14(16)20/h4-7,10,12,21-22H,2-3,8-9,11H2,1H3.
What are the key properties of 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide?
2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 401.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 121179138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).