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

C17H17FN2O4S — CID 47063043

IUPAC4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(CN2CCOC2=O)c1
InChIInChI=1S/C17H17FN2O4S/c1-12-9-14(18)5-6-16(12)25(22,23)19-15-4-2-3-13(10-15)11-20-7-8-24-17(20)21/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyLUGFHYRKNJJUKW-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.89
Rot. Bonds5

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

4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 47063043) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
PubChem CID47063043
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(CN2CCOC2=O)c1
InChIInChI=1S/C17H17FN2O4S/c1-12-9-14(18)5-6-16(12)25(22,23)19-15-4-2-3-13(10-15)11-20-7-8-24-17(20)21/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyLUGFHYRKNJJUKW-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.89
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
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
Methyl 7-(4-fluoro-2-methylbenzenesulfonamido)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 71779320
[3-(3-Fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 18980597
N-[[(5S)-3-[4-[4-(cyanomethylidene)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide
CID 24886107
4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46836898

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide (CID 47063043) is 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(CN2CCOC2=O)c1.
What is the InChIKey of 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is LUGFHYRKNJJUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-12-9-14(18)5-6-16(12)25(22,23)19-15-4-2-3-13(10-15)11-20-7-8-24-17(20)21/h2-6,9-10,19H,7-8,11H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 364.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 47063043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).