1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine

C20H18Cl2N2O2S — CID 1277334

IUPAC1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H18Cl2N2O2S/c21-19-8-6-17(14-20(19)22)23-9-11-24(12-10-23)27(25,26)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2
InChIKeyGPVWOYKYVWEZFZ-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.66
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine

1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 1277334) has the molecular formula C20H18Cl2N2O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID1277334
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC Name1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H18Cl2N2O2S/c21-19-8-6-17(14-20(19)22)23-9-11-24(12-10-23)27(25,26)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2
InChIKeyGPVWOYKYVWEZFZ-UHFFFAOYSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine (CID 1277334) is 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is GPVWOYKYVWEZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S/c21-19-8-6-17(14-20(19)22)23-9-11-24(12-10-23)27(25,26)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2.
What are the key properties of 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine?
1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine has a molecular weight of 421.35 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 1277334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).