3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide

C17H14ClFN2O5S — CID 91630090

IUPAC3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide
SMILESO=C1COC(=O)N1CC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H14ClFN2O5S/c18-13-8-12(6-7-14(13)19)27(24,25)20-15(11-4-2-1-3-5-11)9-21-16(22)10-26-17(21)23/h1-8,15,20H,9-10H2
InChIKeyNAHZZBYURREWIH-UHFFFAOYSA-N
MW412.83 g/mol
LogP2.48
Rot. Bonds6

About 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide

3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide (PubChem CID 91630090) has the molecular formula C17H14ClFN2O5S and a molecular weight of 412.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide
PubChem CID91630090
Molecular FormulaC17H14ClFN2O5S
Molecular Weight412.83 g/mol
Exact Mass412.03
IUPAC Name3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide
SMILESO=C1COC(=O)N1CC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H14ClFN2O5S/c18-13-8-12(6-7-14(13)19)27(24,25)20-15(11-4-2-1-3-5-11)9-21-16(22)10-26-17(21)23/h1-8,15,20H,9-10H2
InChIKeyNAHZZBYURREWIH-UHFFFAOYSA-N
XLogP2.48
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide with MolForge

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Related Compounds

N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 100707393
5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide
CID 91630103
3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine
CID 100707479
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate
CID 100707442
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-phenylacetamide
CID 51291589
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,2-diphenylacetamide
CID 100706719
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845093
3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide
CID 91630060
2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845190
methyl 3-(3-bromophenyl)-3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 60602682

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide (CID 91630090) is 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide is O=C1COC(=O)N1CC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide?
The InChIKey is NAHZZBYURREWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O5S/c18-13-8-12(6-7-14(13)19)27(24,25)20-15(11-4-2-1-3-5-11)9-21-16(22)10-26-17(21)23/h1-8,15,20H,9-10H2.
What are the key properties of 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide has a molecular weight of 412.83 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 91630090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).