3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide

C16H14F2N2O4S — CID 47063052

IUPAC3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
SMILESO=C1OCCN1Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F2N2O4S/c17-14-5-4-13(9-15(14)18)25(22,23)19-12-3-1-2-11(8-12)10-20-6-7-24-16(20)21/h1-5,8-9,19H,6-7,10H2
InChIKeyRWRZMWBELQFVOM-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.72
Rot. Bonds5

About 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide

3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 47063052) has the molecular formula C16H14F2N2O4S and a molecular weight of 368.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
PubChem CID47063052
Molecular FormulaC16H14F2N2O4S
Molecular Weight368.36 g/mol
Exact Mass368.06
IUPAC Name3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
SMILESO=C1OCCN1Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H14F2N2O4S/c17-14-5-4-13(9-15(14)18)25(22,23)19-12-3-1-2-11(8-12)10-20-6-7-24-16(20)21/h1-5,8-9,19H,6-7,10H2
InChIKeyRWRZMWBELQFVOM-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide (CID 47063052) is 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide is O=C1OCCN1Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is RWRZMWBELQFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4S/c17-14-5-4-13(9-15(14)18)25(22,23)19-12-3-1-2-11(8-12)10-20-6-7-24-16(20)21/h1-5,8-9,19H,6-7,10H2.
What are the key properties of 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 368.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 47063052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).