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

C13H18N2O4S — CID 110719352

IUPAC2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCN1CCOC1=O
InChIInChI=1S/C13H18N2O4S/c1-11-5-2-3-6-12(11)20(17,18)14-7-4-8-15-9-10-19-13(15)16/h2-3,5-6,14H,4,7-10H2,1H3
InChIKeyOXXZECHLEDQEDL-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.12
Rot. Bonds6

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

2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (PubChem CID 110719352) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
PubChem CID110719352
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCN1CCOC1=O
InChIInChI=1S/C13H18N2O4S/c1-11-5-2-3-6-12(11)20(17,18)14-7-4-8-15-9-10-19-13(15)16/h2-3,5-6,14H,4,7-10H2,1H3
InChIKeyOXXZECHLEDQEDL-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719354
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719303
2-methoxy-4,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzenesulfonamide
CID 110707287
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide
CID 110707299
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 110789881
2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide
CID 110369880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (CID 110719352) is 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCCN1CCOC1=O.
What is the InChIKey of 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The InChIKey is OXXZECHLEDQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-11-5-2-3-6-12(11)20(17,18)14-7-4-8-15-9-10-19-13(15)16/h2-3,5-6,14H,4,7-10H2,1H3.
What are the key properties of 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
2-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 2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 110719352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).