methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate

C19H22N2O4S — CID 31765455

IUPACmethyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C19H22N2O4S/c1-20-11-12-21(18(14-20)15-7-4-3-5-8-15)26(23,24)17-10-6-9-16(13-17)19(22)25-2/h3-10,13,18H,11-12,14H2,1-2H3/t18-/m1/s1
InChIKeyVZBQARXWLAPRST-GOSISDBHSA-N
MW374.46 g/mol
LogP2.15
Rot. Bonds4

About methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate

methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate (PubChem CID 31765455) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate
PubChem CID31765455
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Namemethyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C19H22N2O4S/c1-20-11-12-21(18(14-20)15-7-4-3-5-8-15)26(23,24)17-10-6-9-16(13-17)19(22)25-2/h3-10,13,18H,11-12,14H2,1-2H3/t18-/m1/s1
InChIKeyVZBQARXWLAPRST-GOSISDBHSA-N
XLogP2.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine
CID 46820976
methyl 3-(3-aminoazetidin-1-yl)sulfonylbenzoate
CID 65245121
1-(3,4-diethoxyphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
CID 55386395
4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine
CID 49238178
1-(3-chloro-4-methylsulfanylphenyl)sulfonyl-4-methyl-2-phenylpiperazine
CID 154800979
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenylpiperazine
CID 8818673
methyl 3-(2-methylpiperazin-1-yl)sulfonylbenzoate
CID 62673312
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193
2-(4-methyl-2-phenylpiperazin-1-yl)sulfonylpropanoic acid
CID 61454190
methyl 3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 55515450
1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one
CID 103823680

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate?
The IUPAC name of methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate (CID 31765455) is methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate.
What is the SMILES notation for methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate?
The canonical SMILES for methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate is COC(=O)c1cccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1.
What is the InChIKey of methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate?
The InChIKey is VZBQARXWLAPRST-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-20-11-12-21(18(14-20)15-7-4-3-5-8-15)26(23,24)17-10-6-9-16(13-17)19(22)25-2/h3-10,13,18H,11-12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate?
methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate has a molecular weight of 374.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate is sourced from PubChem (CID 31765455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).