4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide

C19H21FN2O4S — CID 158139593

IUPAC4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
SMILESCCC1CN(c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H21FN2O4S/c1-4-15-12-22(19(23)26-15)14-7-10-17(18(20)11-14)13-5-8-16(9-6-13)27(24,25)21(2)3/h5-11,15H,4,12H2,1-3H3
InChIKeyMIGXBCRZTSOMRX-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.48
Rot. Bonds5

About 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide

4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 158139593) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
PubChem CID158139593
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
SMILESCCC1CN(c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H21FN2O4S/c1-4-15-12-22(19(23)26-15)14-7-10-17(18(20)11-14)13-5-8-16(9-6-13)27(24,25)21(2)3/h5-11,15H,4,12H2,1-3H3
InChIKeyMIGXBCRZTSOMRX-UHFFFAOYSA-N
XLogP3.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-ethyl-3-[3-fluoro-4-[4-(methylsulfonylmethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 157350922
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzenesulfonamide
CID 129070939
(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
CID 157350921
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
(5S)-5-ethyl-3-[3-fluoro-4-[2-(1-methylpyrazol-3-yl)-1,3-dihydroisoindol-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 90363165
(5S)-3-[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 166997316
1-(dimethylamino)-1-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]urea
CID 135351769
(5S)-5-ethyl-3-[3-fluoro-4-[4-[(1-tritylimidazol-4-yl)methyl]phenyl]phenyl]-1,3-oxazolidin-2-one
CID 58045534
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide (CID 158139593) is 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide is CCC1CN(c2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MIGXBCRZTSOMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-4-15-12-22(19(23)26-15)14-7-10-17(18(20)11-14)13-5-8-16(9-6-13)27(24,25)21(2)3/h5-11,15H,4,12H2,1-3H3.
What are the key properties of 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide?
4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 158139593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).