N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide

C10H12N2O6S2 — CID 57355564

IUPACN-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)N2CCOC2=O)cc1
InChIInChI=1S/C10H12N2O6S2/c1-19(14,15)9-4-2-8(3-5-9)11-20(16,17)12-6-7-18-10(12)13/h2-5,11H,6-7H2,1H3
InChIKeyIEGSYZYJLNMIGS-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.20
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide

N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide (PubChem CID 57355564) has the molecular formula C10H12N2O6S2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
PubChem CID57355564
Molecular FormulaC10H12N2O6S2
Molecular Weight320.35 g/mol
Exact Mass320.01
IUPAC NameN-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)N2CCOC2=O)cc1
InChIInChI=1S/C10H12N2O6S2/c1-19(14,15)9-4-2-8(3-5-9)11-20(16,17)12-6-7-18-10(12)13/h2-5,11H,6-7H2,1H3
InChIKeyIEGSYZYJLNMIGS-UHFFFAOYSA-N
XLogP0.20
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide (CID 57355564) is N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)N2CCOC2=O)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The InChIKey is IEGSYZYJLNMIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S2/c1-19(14,15)9-4-2-8(3-5-9)11-20(16,17)12-6-7-18-10(12)13/h2-5,11H,6-7H2,1H3.
What are the key properties of N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide has a molecular weight of 320.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide is sourced from PubChem (CID 57355564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).