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

C17H15FN2O6S — CID 16922780

IUPACN-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide
SMILESO=C1OC(CNS(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15FN2O6S/c18-13-3-1-2-4-16(13)27(22,23)19-8-12-9-20(17(21)26-12)11-5-6-14-15(7-11)25-10-24-14/h1-7,12,19H,8-10H2
InChIKeyFZEROYSYMBURJU-UHFFFAOYSA-N
MW394.38 g/mol
LogP1.86
Rot. Bonds5

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

N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide (PubChem CID 16922780) has the molecular formula C17H15FN2O6S and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide
PubChem CID16922780
Molecular FormulaC17H15FN2O6S
Molecular Weight394.38 g/mol
Exact Mass394.06
IUPAC NameN-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide
SMILESO=C1OC(CNS(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15FN2O6S/c18-13-3-1-2-4-16(13)27(22,23)19-8-12-9-20(17(21)26-12)11-5-6-14-15(7-11)25-10-24-14/h1-7,12,19H,8-10H2
InChIKeyFZEROYSYMBURJU-UHFFFAOYSA-N
XLogP1.86
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16921978
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 16921998
N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
CID 40940886
N-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
CID 40940887
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 16922517
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
5-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110327729
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
N-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 40912404
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40839197
1-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 51446275
5-[(dimethylsulfamoylamino)methyl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine
CID 16922442

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide (CID 16922780) is N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide is O=C1OC(CNS(=O)(=O)c2ccccc2F)CN1c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide?
The InChIKey is FZEROYSYMBURJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O6S/c18-13-3-1-2-4-16(13)27(22,23)19-8-12-9-20(17(21)26-12)11-5-6-14-15(7-11)25-10-24-14/h1-7,12,19H,8-10H2.
What are the key properties of N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide?
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide has a molecular weight of 394.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 16922780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).