1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine

C21H22N2O2S — CID 1104502

IUPAC1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2c1
InChIInChI=1S/C21H22N2O2S/c1-17-7-8-18-9-10-21(16-19(18)15-17)26(24,25)23-13-11-22(12-14-23)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3
InChIKeyWLBUAAZGTORHHJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.66
Rot. Bonds3

About 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine

1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine (PubChem CID 1104502) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine
PubChem CID1104502
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2c1
InChIInChI=1S/C21H22N2O2S/c1-17-7-8-18-9-10-21(16-19(18)15-17)26(24,25)23-13-11-22(12-14-23)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3
InChIKeyWLBUAAZGTORHHJ-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine (CID 1104502) is 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine is Cc1ccc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2c1.
What is the InChIKey of 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine?
The InChIKey is WLBUAAZGTORHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-17-7-8-18-9-10-21(16-19(18)15-17)26(24,25)23-13-11-22(12-14-23)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine?
1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine has a molecular weight of 366.49 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylnaphthalen-2-yl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 1104502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).