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

C17H17FN2O4S — CID 51118411

IUPAC1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide
SMILESO=C1OCCN1c1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O4S/c18-15-6-4-13(5-7-15)12-25(22,23)19-11-14-2-1-3-16(10-14)20-8-9-24-17(20)21/h1-7,10,19H,8-9,11-12H2
InChIKeyFRPSNGFIWCXXSK-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.40
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide (PubChem CID 51118411) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide
PubChem CID51118411
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide
SMILESO=C1OCCN1c1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O4S/c18-15-6-4-13(5-7-15)12-25(22,23)19-11-14-2-1-3-16(10-14)20-8-9-24-17(20)21/h1-7,10,19H,8-9,11-12H2
InChIKeyFRPSNGFIWCXXSK-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-N-[[3-[4-(3,6-dihydro-1,1-dioxido-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 18684838
N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-methyl-benzenesulfonamide
CID 51356801
1-[6-(Ethoxycarbonylphenylamino)hexylamino]-1-phenylmethanesulfonic acid
CID 256898
2-fluoro-5-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzenesulfonamide
CID 51118413
[(3S)-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1,2-thiazol-3-yl]methyl N-phenylcarbamate
CID 51360540
3-[3-[[(2,5-Difluorophenyl)methylamino]methyl]phenyl]-1,3-oxazolidin-2-one
CID 72024322
(6S)-9-benzylsulfonyl-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 100651181
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-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]phenyl]methanesulfonamide
CID 129071170
(5S)-5-(aminomethyl)-3-[4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-fluoro-phenyl]oxazolidin-2-one
CID 129071188
N-((3-(4-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)-2,4,6-trimethylbenzenesulfonamide
CID 16922452

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide (CID 51118411) is 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide is O=C1OCCN1c1cccc(CNS(=O)(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is FRPSNGFIWCXXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-15-6-4-13(5-7-15)12-25(22,23)19-11-14-2-1-3-16(10-14)20-8-9-24-17(20)21/h1-7,10,19H,8-9,11-12H2.
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 364.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 51118411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).