4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride

C17H24Cl3N3O2S — CID 119994715

IUPAC4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCCN1CCNCC1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H22ClN3O2S.2ClH/c18-16-6-7-17(15-5-2-1-4-14(15)16)24(22,23)20-8-3-11-21-12-9-19-10-13-21;;/h1-2,4-7,19-20H,3,8-13H2;2*1H
InChIKeyYEQXPXAPZPCYJD-UHFFFAOYSA-N
MW440.82 g/mol
LogP2.91
Rot. Bonds6

About 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride

4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride (PubChem CID 119994715) has the molecular formula C17H24Cl3N3O2S and a molecular weight of 440.82 g/mol. Its IUPAC name is 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride
PubChem CID119994715
Molecular FormulaC17H24Cl3N3O2S
Molecular Weight440.82 g/mol
Exact Mass439.07
IUPAC Name4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCCN1CCNCC1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H22ClN3O2S.2ClH/c18-16-6-7-17(15-5-2-1-4-14(15)16)24(22,23)20-8-3-11-21-12-9-19-10-13-21;;/h1-2,4-7,19-20H,3,8-13H2;2*1H
InChIKeyYEQXPXAPZPCYJD-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.82
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
CID 56955991
8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide
CID 54156973
4-chloro-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994425
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
2-chloro-4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994665
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
4-bromo-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706365
4-chloro-2-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994560
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride?
The IUPAC name of 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride (CID 119994715) is 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride.
What is the SMILES notation for 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride?
The canonical SMILES for 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(NCCCN1CCNCC1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride?
The InChIKey is YEQXPXAPZPCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S.2ClH/c18-16-6-7-17(15-5-2-1-4-14(15)16)24(22,23)20-8-3-11-21-12-9-19-10-13-21;;/h1-2,4-7,19-20H,3,8-13H2;2*1H.
What are the key properties of 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride?
4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride has a molecular weight of 440.82 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 119994715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).