4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide

C14H19NO4S — CID 101413144

IUPAC4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCC2CCC2=O)cc1
InChIInChI=1S/C14H19NO4S/c1-19-12-5-7-13(8-6-12)20(17,18)15-10-2-3-11-4-9-14(11)16/h5-8,11,15H,2-4,9-10H2,1H3
InChIKeyGMZKBYCRHOYKBP-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.73
Rot. Bonds7

About 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide

4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide (PubChem CID 101413144) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide
PubChem CID101413144
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCC2CCC2=O)cc1
InChIInChI=1S/C14H19NO4S/c1-19-12-5-7-13(8-6-12)20(17,18)15-10-2-3-11-4-9-14(11)16/h5-8,11,15H,2-4,9-10H2,1H3
InChIKeyGMZKBYCRHOYKBP-UHFFFAOYSA-N
XLogP1.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.73
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-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-methoxybenzenesulfonamide
CID 139937566
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052187
N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide
CID 20967242
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522732

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide (CID 101413144) is 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCC2CCC2=O)cc1.
What is the InChIKey of 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide?
The InChIKey is GMZKBYCRHOYKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-19-12-5-7-13(8-6-12)20(17,18)15-10-2-3-11-4-9-14(11)16/h5-8,11,15H,2-4,9-10H2,1H3.
What are the key properties of 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide?
4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-oxocyclobutyl)propyl]benzenesulfonamide is sourced from PubChem (CID 101413144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).