4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide

C16H23NO3S — CID 64916419

IUPAC4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2ccc(C(C)=O)cc2)C1C
InChIInChI=1S/C16H23NO3S/c1-4-13-7-10-16(11(13)2)17-21(19,20)15-8-5-14(6-9-15)12(3)18/h5-6,8-9,11,13,16-17H,4,7,10H2,1-3H3
InChIKeyLYWBAPRDSPUGIX-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.99
Rot. Bonds5

About 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide

4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide (PubChem CID 64916419) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
PubChem CID64916419
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2ccc(C(C)=O)cc2)C1C
InChIInChI=1S/C16H23NO3S/c1-4-13-7-10-16(11(13)2)17-21(19,20)15-8-5-14(6-9-15)12(3)18/h5-6,8-9,11,13,16-17H,4,7,10H2,1-3H3
InChIKeyLYWBAPRDSPUGIX-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64915651
3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 64921123
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
CID 81258221
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
2-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrimidine-5-sulfonamide
CID 64921363
4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
CID 106444263
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578
4-acetyl-N-propylbenzenesulfonamide
CID 2064043

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide (CID 64916419) is 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide is CCC1CCC(NS(=O)(=O)c2ccc(C(C)=O)cc2)C1C.
What is the InChIKey of 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is LYWBAPRDSPUGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-13-7-10-16(11(13)2)17-21(19,20)15-8-5-14(6-9-15)12(3)18/h5-6,8-9,11,13,16-17H,4,7,10H2,1-3H3.
What are the key properties of 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide?
4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 64916419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).