1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide

C19H22N2O5S — CID 25044281

IUPAC1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
SMILESO=C1C(N2CCCC2)=C(S(=O)(=O)NCC2CCCO2)C(=O)c2ccccc21
InChIInChI=1S/C19H22N2O5S/c22-17-14-7-1-2-8-15(14)18(23)19(16(17)21-9-3-4-10-21)27(24,25)20-12-13-6-5-11-26-13/h1-2,7-8,13,20H,3-6,9-12H2
InChIKeyBFNLUDPFWMKTSS-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.47
Rot. Bonds5

About 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide

1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide (PubChem CID 25044281) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
PubChem CID25044281
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
SMILESO=C1C(N2CCCC2)=C(S(=O)(=O)NCC2CCCO2)C(=O)c2ccccc21
InChIInChI=1S/C19H22N2O5S/c22-17-14-7-1-2-8-15(14)18(23)19(16(17)21-9-3-4-10-21)27(24,25)20-12-13-6-5-11-26-13/h1-2,7-8,13,20H,3-6,9-12H2
InChIKeyBFNLUDPFWMKTSS-UHFFFAOYSA-N
XLogP1.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25035415
N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25043022
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
3-(4-methylpiperidin-1-yl)-1,4-dioxo-N-propylnaphthalene-2-sulfonamide
CID 25044564
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 40847436
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
1-[4-(oxolan-2-ylmethylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341313

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The IUPAC name of 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide (CID 25044281) is 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The canonical SMILES for 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide is O=C1C(N2CCCC2)=C(S(=O)(=O)NCC2CCCO2)C(=O)c2ccccc21.
What is the InChIKey of 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The InChIKey is BFNLUDPFWMKTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c22-17-14-7-1-2-8-15(14)18(23)19(16(17)21-9-3-4-10-21)27(24,25)20-12-13-6-5-11-26-13/h1-2,7-8,13,20H,3-6,9-12H2.
What are the key properties of 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide has a molecular weight of 390.46 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 25044281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).