4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide

C13H18N2O4S — CID 110719303

IUPAC4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCOC2=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-11-3-5-12(6-4-11)20(17,18)14-7-2-8-15-9-10-19-13(15)16/h3-6,14H,2,7-10H2,1H3
InChIKeyUOJBRJHYSZDADZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.12
Rot. Bonds6

About 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide

4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (PubChem CID 110719303) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
PubChem CID110719303
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCOC2=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-11-3-5-12(6-4-11)20(17,18)14-7-2-8-15-9-10-19-13(15)16/h3-6,14H,2,7-10H2,1H3
InChIKeyUOJBRJHYSZDADZ-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.12
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

3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719352
1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide
CID 110707299
4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 2810723
2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719354
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
CID 60530993
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (CID 110719303) is 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCOC2=O)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The InChIKey is UOJBRJHYSZDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-11-3-5-12(6-4-11)20(17,18)14-7-2-8-15-9-10-19-13(15)16/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 110719303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).