4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide

C15H23NO4S — CID 114545150

IUPAC4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1
InChIInChI=1S/C15H23NO4S/c1-12-3-4-13(11-12)16-21(17,18)15-7-5-14(6-8-15)20-10-9-19-2/h5-8,12-13,16H,3-4,9-11H2,1-2H3
InChIKeyXFICKVSXVIAHAV-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.18
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide

4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114545150) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114545150
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1
InChIInChI=1S/C15H23NO4S/c1-12-3-4-13(11-12)16-21(17,18)15-7-5-14(6-8-15)20-10-9-19-2/h5-8,12-13,16H,3-4,9-11H2,1-2H3
InChIKeyXFICKVSXVIAHAV-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
CID 46406704
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
N-(3-methylcyclopentyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114549400
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114545150) is 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC2CCC(C)C2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is XFICKVSXVIAHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-12-3-4-13(11-12)16-21(17,18)15-7-5-14(6-8-15)20-10-9-19-2/h5-8,12-13,16H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide?
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114545150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).