4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide

C13H17FN2O4S — CID 110716981

IUPAC4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCC1CN(C)C(=O)O1
InChIInChI=1S/C13H17FN2O4S/c1-9-7-10(14)3-4-12(9)21(18,19)15-6-5-11-8-16(2)13(17)20-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyOMLMYAGLTZHSKE-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.25
Rot. Bonds5

About 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide (PubChem CID 110716981) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
PubChem CID110716981
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCC1CN(C)C(=O)O1
InChIInChI=1S/C13H17FN2O4S/c1-9-7-10(14)3-4-12(9)21(18,19)15-6-5-11-8-16(2)13(17)20-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyOMLMYAGLTZHSKE-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710175
2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110716987
4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110726023
N-[2-(1,3-dioxan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110370153
3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110717014
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110723011
1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
CID 110710445
2-(3-fluorophenyl)-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]acetamide
CID 110716952
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide (CID 110716981) is 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCC1CN(C)C(=O)O1.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide?
The InChIKey is OMLMYAGLTZHSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-9-7-10(14)3-4-12(9)21(18,19)15-6-5-11-8-16(2)13(17)20-11/h3-4,7,11,15H,5-6,8H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110716981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).