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

C19H21FN2O4S — CID 40948613

IUPACN-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC[C@H]2CN(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/t17-/m0/s1
InChIKeyQWUSYIGKWDALJK-KRWDZBQOSA-N
MW392.45 g/mol
LogP3.05
Rot. Bonds5

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

N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 40948613) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID40948613
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC[C@H]2CN(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/t17-/m0/s1
InChIKeyQWUSYIGKWDALJK-KRWDZBQOSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (CID 40948613) is N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC[C@H]2CN(c3ccc(F)cc3)C(=O)O2)c(C)c1.
What is the InChIKey of N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is QWUSYIGKWDALJK-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[[(5R)-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-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 40948613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).