4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C18H25FN2O4S — CID 110312227

IUPAC4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(OC2CCCC2)c(F)c1)N1CCCCC1
InChIInChI=1S/C18H25FN2O4S/c19-16-12-15(8-9-17(16)25-14-6-2-3-7-14)26(23,24)20-13-18(22)21-10-4-1-5-11-21/h8-9,12,14,20H,1-7,10-11,13H2
InChIKeyXQHLUXBBTPANKU-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.44
Rot. Bonds6

About 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 110312227) has the molecular formula C18H25FN2O4S and a molecular weight of 384.47 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID110312227
Molecular FormulaC18H25FN2O4S
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(OC2CCCC2)c(F)c1)N1CCCCC1
InChIInChI=1S/C18H25FN2O4S/c19-16-12-15(8-9-17(16)25-14-6-2-3-7-14)26(23,24)20-13-18(22)21-10-4-1-5-11-21/h8-9,12,14,20H,1-7,10-11,13H2
InChIKeyXQHLUXBBTPANKU-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 110300909
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
3-amino-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 115597641
4-(2-methoxyethoxy)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 46457688
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
3-chloro-4-fluoro-N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90629021
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 90593801
2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid
CID 69290489

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 110312227) is 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(OC2CCCC2)c(F)c1)N1CCCCC1.
What is the InChIKey of 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is XQHLUXBBTPANKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4S/c19-16-12-15(8-9-17(16)25-14-6-2-3-7-14)26(23,24)20-13-18(22)21-10-4-1-5-11-21/h8-9,12,14,20H,1-7,10-11,13H2.
What are the key properties of 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 384.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110312227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).