2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide

C16H14F2N2O4S — CID 47063046

IUPAC2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
SMILESO=C1OCCN1Cc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H14F2N2O4S/c17-12-4-5-14(18)15(9-12)25(22,23)19-13-3-1-2-11(8-13)10-20-6-7-24-16(20)21/h1-5,8-9,19H,6-7,10H2
InChIKeyGRJAJYRICLEPOD-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.72
Rot. Bonds5

About 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide

2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 47063046) has the molecular formula C16H14F2N2O4S and a molecular weight of 368.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
PubChem CID47063046
Molecular FormulaC16H14F2N2O4S
Molecular Weight368.36 g/mol
Exact Mass368.06
IUPAC Name2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
SMILESO=C1OCCN1Cc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H14F2N2O4S/c17-12-4-5-14(18)15(9-12)25(22,23)19-13-3-1-2-11(8-13)10-20-6-7-24-16(20)21/h1-5,8-9,19H,6-7,10H2
InChIKeyGRJAJYRICLEPOD-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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Related Compounds

N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-methyl-benzenesulfonamide
CID 51356801
N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 71652889
1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide
CID 51118411
2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide
CID 51118413
4-[4-[(5S)-5-(aminomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]benzenesulfonamide
CID 129070939
4-[4-[(5S)-5-(aminomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-N,N-dimethyl-benzenesulfonamide
CID 129071168
N-((3-(4-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)-2,4,6-trimethylbenzenesulfonamide
CID 16922452
{[(R)-3-(p-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}(mesitylsulfonyl)amine
CID 40948613
5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062837
3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
CID 51107967
2,4-difluoro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
CID 52838881
4-Ethyl-3-[2-(trifluoromethanesulfonylamino)benzyl]-2-oxazolidinone
CID 11667497

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide (CID 47063046) is 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide is O=C1OCCN1Cc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is GRJAJYRICLEPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4S/c17-12-4-5-14(18)15(9-12)25(22,23)19-13-3-1-2-11(8-13)10-20-6-7-24-16(20)21/h1-5,8-9,19H,6-7,10H2.
What are the key properties of 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
2,5-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 2,5-difluoro-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 47063046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).