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

C17H16N2O6S — CID 169372032

IUPAC4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOC2=O)OCO3)cc1
InChIInChI=1S/C17H16N2O6S/c1-11-2-4-12(5-3-11)26(21,22)18-13-8-15-16(25-10-24-15)9-14(13)19-6-7-23-17(19)20/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeySKXNKOGPWVXYOM-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.48
Rot. Bonds4

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

4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide (PubChem CID 169372032) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide
PubChem CID169372032
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC Name4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOC2=O)OCO3)cc1
InChIInChI=1S/C17H16N2O6S/c1-11-2-4-12(5-3-11)26(21,22)18-13-8-15-16(25-10-24-15)9-14(13)19-6-7-23-17(19)20/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeySKXNKOGPWVXYOM-UHFFFAOYSA-N
XLogP2.48
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
N-(2-methoxy-5-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372372
4-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 169371408
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
2-[[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]hydrazinylidene]propanedinitrile
CID 169340232
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-(4-acetylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372382
N-(2-ethoxyphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372370
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1448342
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide
CID 16934012

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide (CID 169372032) is 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOC2=O)OCO3)cc1.
What is the InChIKey of 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The InChIKey is SKXNKOGPWVXYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-11-2-4-12(5-3-11)26(21,22)18-13-8-15-16(25-10-24-15)9-14(13)19-6-7-23-17(19)20/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide has a molecular weight of 376.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(2-oxo-1,3-oxazolidin-3-yl)-1,3-benzodioxol-5-yl]benzenesulfonamide is sourced from PubChem (CID 169372032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).