N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

C19H21FN2O4S — CID 16922452

IUPACN-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CN(c3ccc(F)cc3)C(=O)O2)c(C)c1
InChIInChI=1S/C19H21FN2O4S/c1-12-8-13(2)18(14(3)9-12)27(24,25)21-10-17-11-22(19(23)26-17)16-6-4-15(20)5-7-16/h4-9,17,21H,10-11H2,1-3H3
InChIKeyQWUSYIGKWDALJK-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.05
Rot. Bonds5

About N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 16922452) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID16922452
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CN(c3ccc(F)cc3)C(=O)O2)c(C)c1
InChIInChI=1S/C19H21FN2O4S/c1-12-8-13(2)18(14(3)9-12)27(24,25)21-10-17-11-22(19(23)26-17)16-6-4-15(20)5-7-16/h4-9,17,21H,10-11H2,1-3H3
InChIKeyQWUSYIGKWDALJK-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-3-[4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10203374
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
N-[[(5S)-3-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10028535
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
N-[[(5R)-3-(3-fluoro-4-thiomorpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 71653189
tert-butyl 4-[2-fluoro-4-[(5R)-2-oxo-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 71653334
N-[[(5R)-3-(3-fluoro-4-piperazin-1-yl-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 71653336
N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 134134189
4-tert-butyl-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 177646150
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]oxazolidin-2-one
CID 129057022

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (CID 16922452) is N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2CN(c3ccc(F)cc3)C(=O)O2)c(C)c1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is QWUSYIGKWDALJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-12-8-13(2)18(14(3)9-12)27(24,25)21-10-17-11-22(19(23)26-17)16-6-4-15(20)5-7-16/h4-9,17,21H,10-11H2,1-3H3.
What are the key properties of N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 16922452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).