N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide

C19H24N2O4S — CID 25048727

IUPACN-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O4S/c1-3-13(2)20-26(24,25)19-16(21-11-7-4-8-12-21)17(22)14-9-5-6-10-15(14)18(19)23/h5-6,9-10,13,20H,3-4,7-8,11-12H2,1-2H3
InChIKeyVKUJLNZHYGOGEV-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.48
Rot. Bonds5

About N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide

N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide (PubChem CID 25048727) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
PubChem CID25048727
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O4S/c1-3-13(2)20-26(24,25)19-16(21-11-7-4-8-12-21)17(22)14-9-5-6-10-15(14)18(19)23/h5-6,9-10,13,20H,3-4,7-8,11-12H2,1-2H3
InChIKeyVKUJLNZHYGOGEV-UHFFFAOYSA-N
XLogP2.48
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.48
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-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037815
3-(azepan-1-yl)-N-(2-hydroxypropyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25047267
N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25047016
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-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25043022
2-(azepan-1-yl)-3-(4-ethylpiperazin-1-yl)sulfonylnaphthalene-1,4-dione
CID 23932334
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-methylphenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25040757
ethyl 4-[[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]sulfonylamino]benzoate
CID 25043111
N-(3,4-dichlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25042727

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide (CID 25048727) is N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide is CCC(C)NS(=O)(=O)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide?
The InChIKey is VKUJLNZHYGOGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-13(2)20-26(24,25)19-16(21-11-7-4-8-12-21)17(22)14-9-5-6-10-15(14)18(19)23/h5-6,9-10,13,20H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide?
N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 25048727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).