N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide

C21H19ClN2O4S — CID 25048658

IUPACN-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
SMILESO=C1C(N2CCCCC2)=C(S(=O)(=O)Nc2cccc(Cl)c2)C(=O)c2ccccc21
InChIInChI=1S/C21H19ClN2O4S/c22-14-7-6-8-15(13-14)23-29(27,28)21-18(24-11-4-1-5-12-24)19(25)16-9-2-3-10-17(16)20(21)26/h2-3,6-10,13,23H,1,4-5,11-12H2
InChIKeyIGGSMMDIRJAKEN-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.86
Rot. Bonds4

About N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide

N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide (PubChem CID 25048658) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
PubChem CID25048658
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
SMILESO=C1C(N2CCCCC2)=C(S(=O)(=O)Nc2cccc(Cl)c2)C(=O)c2ccccc21
InChIInChI=1S/C21H19ClN2O4S/c22-14-7-6-8-15(13-14)23-29(27,28)21-18(24-11-4-1-5-12-24)19(25)16-9-2-3-10-17(16)20(21)26/h2-3,6-10,13,23H,1,4-5,11-12H2
InChIKeyIGGSMMDIRJAKEN-UHFFFAOYSA-N
XLogP3.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.86
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-(3,4-dichlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25042727
3-(azepan-1-yl)-N-(3-methylphenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25040757
3-(azepan-1-yl)-N-(3-fluorophenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25041258
N-(3,4-dimethylphenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25037243
N-(4-methylphenyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037207
3-(azepan-1-yl)-N-(4-nitrophenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25043834
1,4-dioxo-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25036232
N-(4-bromo-2-fluorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25041348
3-(azepan-1-yl)-N-(2-hydroxypropyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25047267
ethyl 4-[[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]sulfonylamino]benzoate
CID 25043111
N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25048727
N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25043022

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide (CID 25048658) is N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide is O=C1C(N2CCCCC2)=C(S(=O)(=O)Nc2cccc(Cl)c2)C(=O)c2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide?
The InChIKey is IGGSMMDIRJAKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c22-14-7-6-8-15(13-14)23-29(27,28)21-18(24-11-4-1-5-12-24)19(25)16-9-2-3-10-17(16)20(21)26/h2-3,6-10,13,23H,1,4-5,11-12H2.
What are the key properties of N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide?
N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide has a molecular weight of 430.91 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 25048658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).