1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine

C17H19ClN2O2S — CID 983834

IUPAC1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c1-19-10-12-20(13-11-19)23(21,22)17-8-4-15(5-9-17)14-2-6-16(18)7-3-14/h2-9H,10-13H2,1H3
InChIKeyVVFGAIPJNPYEAK-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine

1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine (PubChem CID 983834) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine
PubChem CID983834
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c1-19-10-12-20(13-11-19)23(21,22)17-8-4-15(5-9-17)14-2-6-16(18)7-3-14/h2-9H,10-13H2,1H3
InChIKeyVVFGAIPJNPYEAK-UHFFFAOYSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine (CID 983834) is 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine?
The InChIKey is VVFGAIPJNPYEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-19-10-12-20(13-11-19)23(21,22)17-8-4-15(5-9-17)14-2-6-16(18)7-3-14/h2-9H,10-13H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine?
1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine has a molecular weight of 350.87 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]sulfonyl-4-methylpiperazine is sourced from PubChem (CID 983834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).