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

C16H18N2O5S — CID 25035415

IUPACN-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
SMILESO=C1C(N2CCCC2)=C(S(=O)(=O)NCCO)C(=O)c2ccccc21
InChIInChI=1S/C16H18N2O5S/c19-10-7-17-24(22,23)16-13(18-8-3-4-9-18)14(20)11-5-1-2-6-12(11)15(16)21/h1-2,5-6,17,19H,3-4,7-10H2
InChIKeyFACUUOLLGINMKE-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.28
Rot. Bonds5

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

N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide (PubChem CID 25035415) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
PubChem CID25035415
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
SMILESO=C1C(N2CCCC2)=C(S(=O)(=O)NCCO)C(=O)c2ccccc21
InChIInChI=1S/C16H18N2O5S/c19-10-7-17-24(22,23)16-13(18-8-3-4-9-18)14(20)11-5-1-2-6-12(11)15(16)21/h1-2,5-6,17,19H,3-4,7-10H2
InChIKeyFACUUOLLGINMKE-UHFFFAOYSA-N
XLogP0.28
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide (CID 25035415) is N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide is O=C1C(N2CCCC2)=C(S(=O)(=O)NCCO)C(=O)c2ccccc21.
What is the InChIKey of N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The InChIKey is FACUUOLLGINMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c19-10-7-17-24(22,23)16-13(18-8-3-4-9-18)14(20)11-5-1-2-6-12(11)15(16)21/h1-2,5-6,17,19H,3-4,7-10H2.
What are the key properties of N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 25035415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).