1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine

C21H22N2O2S — CID 6468408

IUPAC1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine
SMILESCc1ccccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H22N2O2S/c1-17-6-2-5-9-21(17)22-12-14-23(15-13-22)26(24,25)20-11-10-18-7-3-4-8-19(18)16-20/h2-11,16H,12-15H2,1H3
InChIKeyWNDCTLIKRNTCDE-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.66
Rot. Bonds3

About 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine

1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine (PubChem CID 6468408) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine
PubChem CID6468408
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine
SMILESCc1ccccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H22N2O2S/c1-17-6-2-5-9-21(17)22-12-14-23(15-13-22)26(24,25)20-11-10-18-7-3-4-8-19(18)16-20/h2-11,16H,12-15H2,1H3
InChIKeyWNDCTLIKRNTCDE-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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Related Compounds

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CID 60785
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CID 14580027
2-[3-(4-Phenyl-piperidin-1-yl)-propyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580033
Pyrrolidine, 1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CID 738896
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
1,5,9-Triazacyclododecane, 9-(cyclohexylmethyl)-1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-3-methylene-5-[(4-methylphenyl)sulfonyl]-
CID 11498413
1-(4-Tert-butylbenzenesulfonyl)-4-(2-fluorophenyl)piperazine
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Arylsulfonylpiperazine, 29
CID 19684374

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine (CID 6468408) is 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine is Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine?
The InChIKey is WNDCTLIKRNTCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-17-6-2-5-9-21(17)22-12-14-23(15-13-22)26(24,25)20-11-10-18-7-3-4-8-19(18)16-20/h2-11,16H,12-15H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine?
1-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine 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-(2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6468408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).