N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide

C18H19FN2O4S — CID 110328213

IUPACN-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCCc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C18H19FN2O4S/c1-2-13-3-7-15(8-4-13)21-12-16(25-18(21)22)11-20-26(23,24)17-9-5-14(19)6-10-17/h3-10,16,20H,2,11-12H2,1H3
InChIKeyDKYSEMIIPOBZGO-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.69
Rot. Bonds6

About N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide

N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 110328213) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID110328213
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCCc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc1
InChIInChI=1S/C18H19FN2O4S/c1-2-13-3-7-15(8-4-13)21-12-16(25-18(21)22)11-20-26(23,24)17-9-5-14(19)6-10-17/h3-10,16,20H,2,11-12H2,1H3
InChIKeyDKYSEMIIPOBZGO-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
CID 110327987
4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 40839214
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110328218
5-[(dimethylsulfamoylamino)methyl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine
CID 16922442
1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327626
4-ethyl-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640709
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367600
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 16922728
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479
6-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyridine-3-sulfonamide
CID 110310960
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide (CID 110328213) is N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide is CCc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc1.
What is the InChIKey of N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is DKYSEMIIPOBZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-2-13-3-7-15(8-4-13)21-12-16(25-18(21)22)11-20-26(23,24)17-9-5-14(19)6-10-17/h3-10,16,20H,2,11-12H2,1H3.
What are the key properties of N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110328213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).