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

C13H17FN2O4S — CID 110719461

IUPAC4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(F)cc1)N1CCOC1=O
InChIInChI=1S/C13H17FN2O4S/c1-13(2,16-7-8-20-12(16)17)9-15-21(18,19)11-5-3-10(14)4-6-11/h3-6,15H,7-9H2,1-2H3
InChIKeyNFZURPWSNAYOLC-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.33
Rot. Bonds5

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

4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (PubChem CID 110719461) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
PubChem CID110719461
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(F)cc1)N1CCOC1=O
InChIInChI=1S/C13H17FN2O4S/c1-13(2,16-7-8-20-12(16)17)9-15-21(18,19)11-5-3-10(14)4-6-11/h3-6,15H,7-9H2,1-2H3
InChIKeyNFZURPWSNAYOLC-UHFFFAOYSA-N
XLogP1.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719480
N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]butane-1-sulfonamide
CID 110719457
N-[(4-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372318
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719303
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110291465
3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one
CID 581720
2,6-dimethoxy-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719392
N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
CID 51169466
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide (CID 110719461) is 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(F)cc1)N1CCOC1=O.
What is the InChIKey of 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
The InChIKey is NFZURPWSNAYOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-13(2,16-7-8-20-12(16)17)9-15-21(18,19)11-5-3-10(14)4-6-11/h3-6,15H,7-9H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide?
4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 110719461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).