4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

C15H23NO3S — CID 114545155

IUPAC4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1C
InChIInChI=1S/C15H23NO3S/c1-4-19-15-8-7-14(10-12(15)3)20(17,18)16-13-6-5-11(2)9-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3
InChIKeyQVTXQYWHWGGDIY-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.86
Rot. Bonds5

About 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114545155) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114545155
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1C
InChIInChI=1S/C15H23NO3S/c1-4-19-15-8-7-14(10-12(15)3)20(17,18)16-13-6-5-11(2)9-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3
InChIKeyQVTXQYWHWGGDIY-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114545155) is 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is QVTXQYWHWGGDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-15-8-7-14(10-12(15)3)20(17,18)16-13-6-5-11(2)9-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3.
What are the key properties of 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114545155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).