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

C13H18N2O4S — CID 101185105

IUPAC4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)N1CCOC1=O
InChIInChI=1S/C13H18N2O4S/c1-3-12(15-8-9-19-13(15)16)14-20(17,18)11-6-4-10(2)5-7-11/h4-7,12,14H,3,8-9H2,1-2H3
InChIKeyVREPNHBQQGJIMM-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.46
Rot. Bonds5

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

4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (PubChem CID 101185105) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
PubChem CID101185105
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)N1CCOC1=O
InChIInChI=1S/C13H18N2O4S/c1-3-12(15-8-9-19-13(15)16)14-20(17,18)11-6-4-10(2)5-7-11/h4-7,12,14H,3,8-9H2,1-2H3
InChIKeyVREPNHBQQGJIMM-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719303
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
CID 102582929
4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 27241664
4-methyl-N-[1-[10-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110901
4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide
CID 89212205
4-methyl-N-[1-[13-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110902
4-methyl-N-[(2S,3S)-3-methyl-1-[16-[(2R,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600522
4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide
CID 71762025
4-methyl-N-(1-oxobutan-2-yl)benzenesulfonamide
CID 173407704
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43001317
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
CID 8844499

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (CID 101185105) is 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(C)cc1)N1CCOC1=O.
What is the InChIKey of 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The InChIKey is VREPNHBQQGJIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-12(15-8-9-19-13(15)16)14-20(17,18)11-6-4-10(2)5-7-11/h4-7,12,14H,3,8-9H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 101185105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).