(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine

C18H22N2O3S — CID 94915313

IUPAC(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C18H22N2O3S/c1-19-12-13-20(14-18(19)15-6-4-3-5-7-15)24(21,22)17-10-8-16(23-2)9-11-17/h3-11,18H,12-14H2,1-2H3/t18-/m1/s1
InChIKeyXVNHCLXTWNFRIW-GOSISDBHSA-N
MW346.45 g/mol
LogP2.37
Rot. Bonds4

About (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine

(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine (PubChem CID 94915313) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
PubChem CID94915313
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C18H22N2O3S/c1-19-12-13-20(14-18(19)15-6-4-3-5-7-15)24(21,22)17-10-8-16(23-2)9-11-17/h3-11,18H,12-14H2,1-2H3/t18-/m1/s1
InChIKeyXVNHCLXTWNFRIW-GOSISDBHSA-N
XLogP2.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine
CID 98750168
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 95110006
1-methyl-2-phenyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 110097833
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
CID 53189148
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 110418562
3-methyl-6-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110602902
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The IUPAC name of (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine (CID 94915313) is (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine.
What is the SMILES notation for (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The canonical SMILES for (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
The InChIKey is XVNHCLXTWNFRIW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-19-12-13-20(14-18(19)15-6-4-3-5-7-15)24(21,22)17-10-8-16(23-2)9-11-17/h3-11,18H,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine?
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine has a molecular weight of 346.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine is sourced from PubChem (CID 94915313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).