N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride

C17H29Cl2N3O2S — CID 119994834

IUPACN-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCCN1CCNCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27N3O2S.2ClH/c21-23(22,19-8-3-11-20-12-9-18-10-13-20)17-7-6-15-4-1-2-5-16(15)14-17;;/h6-7,14,18-19H,1-5,8-13H2;2*1H
InChIKeyFHLZYRRTTZJILR-UHFFFAOYSA-N
MW410.41 g/mol
LogP1.98
Rot. Bonds6

About N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride

N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride (PubChem CID 119994834) has the molecular formula C17H29Cl2N3O2S and a molecular weight of 410.41 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
PubChem CID119994834
Molecular FormulaC17H29Cl2N3O2S
Molecular Weight410.41 g/mol
Exact Mass409.14
IUPAC NameN-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCCN1CCNCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27N3O2S.2ClH/c21-23(22,19-8-3-11-20-12-9-18-10-13-20)17-7-6-15-4-1-2-5-16(15)14-17;;/h6-7,14,18-19H,1-5,8-13H2;2*1H
InChIKeyFHLZYRRTTZJILR-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 51.98
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

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42389495
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 34266967
3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 120706377
4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994818
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201
3-cyano-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994501
2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
3-fluoro-N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzenesulfonamide
CID 120706378

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride (CID 119994834) is N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(NCCCN1CCNCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride?
The InChIKey is FHLZYRRTTZJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.2ClH/c21-23(22,19-8-3-11-20-12-9-18-10-13-20)17-7-6-15-4-1-2-5-16(15)14-17;;/h6-7,14,18-19H,1-5,8-13H2;2*1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride?
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride has a molecular weight of 410.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride is sourced from PubChem (CID 119994834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).