1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

C17H16ClFN2O4S — CID 110327626

IUPAC1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESO=C1OC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CN1c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O4S/c18-13-3-1-12(2-4-13)11-26(23,24)20-9-16-10-21(17(22)25-16)15-7-5-14(19)6-8-15/h1-8,16,20H,9-11H2
InChIKeyPMQROQSBJZCBEV-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.92
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 110327626) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
PubChem CID110327626
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC Name1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESO=C1OC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CN1c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O4S/c18-13-3-1-12(2-4-13)11-26(23,24)20-9-16-10-21(17(22)25-16)15-7-5-14(19)6-8-15/h1-8,16,20H,9-11H2
InChIKeyPMQROQSBJZCBEV-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.92
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]methanesulfonamide
CID 16922479
1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
CID 110710445
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 110328213
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
CID 110327987
5-[(dimethylsulfamoylamino)methyl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine
CID 16922442
1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640715
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-phenylmethanesulfonamide
CID 110328145
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 16922517
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110327915

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 110327626) is 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is O=C1OC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The InChIKey is PMQROQSBJZCBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c18-13-3-1-12(2-4-13)11-26(23,24)20-9-16-10-21(17(22)25-16)15-7-5-14(19)6-8-15/h1-8,16,20H,9-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide has a molecular weight of 398.84 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110327626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).