2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride

C20H20Cl3N3O2S — CID 10116267

IUPAC2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(N2CCNCC2)c2ccccc12)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H19Cl2N3O2S.ClH/c21-14-5-6-17(22)20(13-14)28(26,27)24-18-7-8-19(25-11-9-23-10-12-25)16-4-2-1-3-15(16)18;/h1-8,13,23-24H,9-12H2;1H
InChIKeyAODDLZQAQAFCKH-UHFFFAOYSA-N
MW472.83 g/mol
LogP4.78
Rot. Bonds4

About 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride

2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride (PubChem CID 10116267) has the molecular formula C20H20Cl3N3O2S and a molecular weight of 472.83 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride
PubChem CID10116267
Molecular FormulaC20H20Cl3N3O2S
Molecular Weight472.83 g/mol
Exact Mass471.03
IUPAC Name2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1ccc(N2CCNCC2)c2ccccc12)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H19Cl2N3O2S.ClH/c21-14-5-6-17(22)20(13-14)28(26,27)24-18-7-8-19(25-11-9-23-10-12-25)16-4-2-1-3-15(16)18;/h1-8,13,23-24H,9-12H2;1H
InChIKeyAODDLZQAQAFCKH-UHFFFAOYSA-N
XLogP4.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.83
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 10277045
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
N-naphthalen-2-yl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10226081
N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10204374
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
N-(3-chloro-4-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10276694
4-(1,4-diazepan-1-yl)-N-(4-methylphenyl)naphthalene-1-sulfonamide
CID 10159893
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
2,4-dichloro-6-methyl-3-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
CID 142776795
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(2-amino-4-hydroxyphenyl)-2,5-dichlorobenzenesulfonamide
CID 107697838

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride (CID 10116267) is 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(Nc1ccc(N2CCNCC2)c2ccccc12)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride?
The InChIKey is AODDLZQAQAFCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S.ClH/c21-14-5-6-17(22)20(13-14)28(26,27)24-18-7-8-19(25-11-9-23-10-12-25)16-4-2-1-3-15(16)18;/h1-8,13,23-24H,9-12H2;1H.
What are the key properties of 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride?
2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride has a molecular weight of 472.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 10116267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).