N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide

C19H22N2O4S — CID 25043022

IUPACN-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
SMILESO=C1C(N2CCCC2)=C(S(=O)(=O)NC2CCCC2)C(=O)c2ccccc21
InChIInChI=1S/C19H22N2O4S/c22-17-14-9-3-4-10-15(14)18(23)19(16(17)21-11-5-6-12-21)26(24,25)20-13-7-1-2-8-13/h3-4,9-10,13,20H,1-2,5-8,11-12H2
InChIKeyIGRYWIYIECSHNG-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.23
Rot. Bonds4

About N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide

N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide (PubChem CID 25043022) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
PubChem CID25043022
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
SMILESO=C1C(N2CCCC2)=C(S(=O)(=O)NC2CCCC2)C(=O)c2ccccc21
InChIInChI=1S/C19H22N2O4S/c22-17-14-9-3-4-10-15(14)18(23)19(16(17)21-11-5-6-12-21)26(24,25)20-13-7-1-2-8-13/h3-4,9-10,13,20H,1-2,5-8,11-12H2
InChIKeyIGRYWIYIECSHNG-UHFFFAOYSA-N
XLogP2.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methylphenyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037207
N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25048727
1,4-dioxo-N-(oxolan-2-ylmethyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25044281
N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037815
1,4-dioxo-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25036232
3-(azepan-1-yl)-N-(3-methylphenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25040757
N-(3,4-dimethylphenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25037243
N-[(4-fluorophenyl)methyl]-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25044666
3-(azepan-1-yl)-N-(3-fluorophenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25041258
N-(3,4-dichlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25042727
3-(azepan-1-yl)-N-(4-nitrophenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25043834

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide (CID 25043022) is N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide is O=C1C(N2CCCC2)=C(S(=O)(=O)NC2CCCC2)C(=O)c2ccccc21.
What is the InChIKey of N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The InChIKey is IGRYWIYIECSHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-17-14-9-3-4-10-15(14)18(23)19(16(17)21-11-5-6-12-21)26(24,25)20-13-7-1-2-8-13/h3-4,9-10,13,20H,1-2,5-8,11-12H2.
What are the key properties of N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 25043022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).