4-benzylsulfonyl-2-methyl-1-phenylpiperazine

C18H22N2O2S — CID 110658074

IUPAC4-benzylsulfonyl-2-methyl-1-phenylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-16-14-19(12-13-20(16)18-10-6-3-7-11-18)23(21,22)15-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKeyLWWMPWHFADGSIZ-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.73
Rot. Bonds4

About 4-benzylsulfonyl-2-methyl-1-phenylpiperazine

4-benzylsulfonyl-2-methyl-1-phenylpiperazine (PubChem CID 110658074) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-benzylsulfonyl-2-methyl-1-phenylpiperazine.

Molecular Properties

Compound Name4-benzylsulfonyl-2-methyl-1-phenylpiperazine
PubChem CID110658074
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-benzylsulfonyl-2-methyl-1-phenylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-16-14-19(12-13-20(16)18-10-6-3-7-11-18)23(21,22)15-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKeyLWWMPWHFADGSIZ-UHFFFAOYSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686
2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine
CID 110658075
4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110602284
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
CID 110707722
1-benzylsulfonyl-3-methylpiperazine
CID 65449944
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-1-(2-phenylethyl)piperazine
CID 110658254
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498856
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-2-methyl-1-phenylpiperazine?
The IUPAC name of 4-benzylsulfonyl-2-methyl-1-phenylpiperazine (CID 110658074) is 4-benzylsulfonyl-2-methyl-1-phenylpiperazine.
What is the SMILES notation for 4-benzylsulfonyl-2-methyl-1-phenylpiperazine?
The canonical SMILES for 4-benzylsulfonyl-2-methyl-1-phenylpiperazine is CC1CN(S(=O)(=O)Cc2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 4-benzylsulfonyl-2-methyl-1-phenylpiperazine?
The InChIKey is LWWMPWHFADGSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-16-14-19(12-13-20(16)18-10-6-3-7-11-18)23(21,22)15-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3.
What are the key properties of 4-benzylsulfonyl-2-methyl-1-phenylpiperazine?
4-benzylsulfonyl-2-methyl-1-phenylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-2-methyl-1-phenylpiperazine is sourced from PubChem (CID 110658074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).