1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine

C17H19ClN2O2S — CID 11951648

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c1-14-16(18)8-5-9-17(14)23(21,22)20-12-10-19(11-13-20)15-6-3-2-4-7-15/h2-9H,10-13H2,1H3
InChIKeyITOPIYCTKPLYDW-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine

1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 11951648) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
PubChem CID11951648
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c1-14-16(18)8-5-9-17(14)23(21,22)20-12-10-19(11-13-20)15-6-3-2-4-7-15/h2-9H,10-13H2,1H3
InChIKeyITOPIYCTKPLYDW-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
CID 3836350
1-(3-chloro-2-methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47203381
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
CID 92772321
1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507151
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
(2R)-1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039318
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 50876773
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 34117775

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine (CID 11951648) is 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine is Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is ITOPIYCTKPLYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-14-16(18)8-5-9-17(14)23(21,22)20-12-10-19(11-13-20)15-6-3-2-4-7-15/h2-9H,10-13H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine?
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 350.87 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 11951648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).