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

C20H19Cl2N3O2S — CID 10277045

IUPAC2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCNCC2)c2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2N3O2S/c21-14-5-8-20(17(22)13-14)28(26,27)24-18-6-7-19(25-11-9-23-10-12-25)16-4-2-1-3-15(16)18/h1-8,13,23-24H,9-12H2
InChIKeyXCAWMDQDDJWWHN-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.36
Rot. Bonds4

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

2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide (PubChem CID 10277045) has the molecular formula C20H19Cl2N3O2S and a molecular weight of 436.36 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
PubChem CID10277045
Molecular FormulaC20H19Cl2N3O2S
Molecular Weight436.36 g/mol
Exact Mass435.06
IUPAC Name2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCNCC2)c2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2N3O2S/c21-14-5-8-20(17(22)13-14)28(26,27)24-18-6-7-19(25-11-9-23-10-12-25)16-4-2-1-3-15(16)18/h1-8,13,23-24H,9-12H2
InChIKeyXCAWMDQDDJWWHN-UHFFFAOYSA-N
XLogP4.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide (CID 10277045) is 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCNCC2)c2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide?
The InChIKey is XCAWMDQDDJWWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S/c21-14-5-8-20(17(22)13-14)28(26,27)24-18-6-7-19(25-11-9-23-10-12-25)16-4-2-1-3-15(16)18/h1-8,13,23-24H,9-12H2.
What are the key properties of 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide?
2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide has a molecular weight of 436.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-piperazin-1-ylnaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 10277045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).