3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide

C14H19NO4S — CID 103082265

IUPAC3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2cccc(C(C)=O)c2)C1
InChIInChI=1S/C14H19NO4S/c1-10(16)11-4-3-5-14(8-11)20(17,18)15-12-6-7-13(9-12)19-2/h3-5,8,12-13,15H,6-7,9H2,1-2H3
InChIKeyWYEHYMYSSAXFDC-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.74
Rot. Bonds5

About 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide

3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide (PubChem CID 103082265) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
PubChem CID103082265
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2cccc(C(C)=O)c2)C1
InChIInChI=1S/C14H19NO4S/c1-10(16)11-4-3-5-14(8-11)20(17,18)15-12-6-7-13(9-12)19-2/h3-5,8,12-13,15H,6-7,9H2,1-2H3
InChIKeyWYEHYMYSSAXFDC-UHFFFAOYSA-N
XLogP1.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 114118203
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 61234303
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106002176
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
methyl 3-[(1-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 100692122
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43081984
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091370

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide (CID 103082265) is 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide is COC1CCC(NS(=O)(=O)c2cccc(C(C)=O)c2)C1.
What is the InChIKey of 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide?
The InChIKey is WYEHYMYSSAXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(16)11-4-3-5-14(8-11)20(17,18)15-12-6-7-13(9-12)19-2/h3-5,8,12-13,15H,6-7,9H2,1-2H3.
What are the key properties of 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide?
3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide is sourced from PubChem (CID 103082265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).