N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide

C20H25FN2O3S — CID 46071300

IUPACN-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc(C2C(S(=O)(=O)NCc3ccccc3F)CON2C)cc1
InChIInChI=1S/C20H25FN2O3S/c1-14(2)15-8-10-16(11-9-15)20-19(13-26-23(20)3)27(24,25)22-12-17-6-4-5-7-18(17)21/h4-11,14,19-20,22H,12-13H2,1-3H3
InChIKeyZGYOYFUELPEZCG-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.36
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide

N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071300) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID46071300
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(C)c1ccc(C2C(S(=O)(=O)NCc3ccccc3F)CON2C)cc1
InChIInChI=1S/C20H25FN2O3S/c1-14(2)15-8-10-16(11-9-15)20-19(13-26-23(20)3)27(24,25)22-12-17-6-4-5-7-18(17)21/h4-11,14,19-20,22H,12-13H2,1-3H3
InChIKeyZGYOYFUELPEZCG-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide (CID 46071300) is N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide is CC(C)c1ccc(C2C(S(=O)(=O)NCc3ccccc3F)CON2C)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is ZGYOYFUELPEZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-14(2)15-8-10-16(11-9-15)20-19(13-26-23(20)3)27(24,25)22-12-17-6-4-5-7-18(17)21/h4-11,14,19-20,22H,12-13H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide?
N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 392.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).