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

C22H20N2O4S — CID 67358320

IUPACN-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide
SMILESCN1C(=O)OCC1c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O4S/c1-24-21(15-28-22(24)25)18-8-5-9-19(14-18)23-29(26,27)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-14,21,23H,15H2,1H3
InChIKeyYRSYQMARVCQMES-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.28
Rot. Bonds5

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

N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide (PubChem CID 67358320) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide
PubChem CID67358320
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide
SMILESCN1C(=O)OCC1c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O4S/c1-24-21(15-28-22(24)25)18-8-5-9-19(14-18)23-29(26,27)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-14,21,23H,15H2,1H3
InChIKeyYRSYQMARVCQMES-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide (CID 67358320) is N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide is CN1C(=O)OCC1c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide?
The InChIKey is YRSYQMARVCQMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-24-21(15-28-22(24)25)18-8-5-9-19(14-18)23-29(26,27)20-12-10-17(11-13-20)16-6-3-2-4-7-16/h2-14,21,23H,15H2,1H3.
What are the key properties of N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide?
N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-2-oxo-1,3-oxazolidin-4-yl)phenyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 67358320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).