N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C19H18N2O7S — CID 100707393

IUPACN-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C19H18N2O7S/c22-18-12-28-19(23)21(18)11-15(13-4-2-1-3-5-13)20-29(24,25)14-6-7-16-17(10-14)27-9-8-26-16/h1-7,10,15,20H,8-9,11-12H2/t15-/m0/s1
InChIKeyRVFNHGJYUZGWRW-HNNXBMFYSA-N
MW418.43 g/mol
LogP1.46
Rot. Bonds6

About N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 100707393) has the molecular formula C19H18N2O7S and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID100707393
Molecular FormulaC19H18N2O7S
Molecular Weight418.43 g/mol
Exact Mass418.08
IUPAC NameN-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C19H18N2O7S/c22-18-12-28-19(23)21(18)11-15(13-4-2-1-3-5-13)20-29(24,25)14-6-7-16-17(10-14)27-9-8-26-16/h1-7,10,15,20H,8-9,11-12H2/t15-/m0/s1
InChIKeyRVFNHGJYUZGWRW-HNNXBMFYSA-N
XLogP1.46
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-fluorobenzenesulfonamide
CID 91630090
3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine
CID 100707479
5-[[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]-2-methoxybenzamide
CID 91630103
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344578
methyl 3-[[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylate
CID 100707442
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43001317
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoate
CID 3312735
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344402
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]furan-2-carboxamide
CID 99999145
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110278495

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 100707393) is N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is RVFNHGJYUZGWRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N2O7S/c22-18-12-28-19(23)21(18)11-15(13-4-2-1-3-5-13)20-29(24,25)14-6-7-16-17(10-14)27-9-8-26-16/h1-7,10,15,20H,8-9,11-12H2/t15-/m0/s1.
What are the key properties of N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 418.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 100707393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).