1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine

C15H17ClN2O2S — CID 671594

IUPAC1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)CC1
InChIInChI=1S/C15H17ClN2O2S/c1-17-8-10-18(11-9-17)21(19,20)15-7-6-14(16)12-4-2-3-5-13(12)15/h2-7H,8-11H2,1H3
InChIKeyYFXVIJAMQNMEHR-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.43
Rot. Bonds2

About 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine

1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine (PubChem CID 671594) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine
PubChem CID671594
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)CC1
InChIInChI=1S/C15H17ClN2O2S/c1-17-8-10-18(11-9-17)21(19,20)15-7-6-14(16)12-4-2-3-5-13(12)15/h2-7H,8-11H2,1H3
InChIKeyYFXVIJAMQNMEHR-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine (CID 671594) is 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)CC1.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine?
The InChIKey is YFXVIJAMQNMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-17-8-10-18(11-9-17)21(19,20)15-7-6-14(16)12-4-2-3-5-13(12)15/h2-7H,8-11H2,1H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine?
1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine has a molecular weight of 324.83 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 671594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).