1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine

C19H23ClN2O2S — CID 9443316

IUPAC1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
SMILESC[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23ClN2O2S/c1-16(18-9-5-6-10-19(18)20)21-11-13-22(14-12-21)25(23,24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/t16-/m0/s1
InChIKeyYGAMLTSRSZUWEX-INIZCTEOSA-N
MW378.93 g/mol
LogP3.55
Rot. Bonds5

About 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine

1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine (PubChem CID 9443316) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
PubChem CID9443316
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
SMILESC[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23ClN2O2S/c1-16(18-9-5-6-10-19(18)20)21-11-13-22(14-12-21)25(23,24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/t16-/m0/s1
InChIKeyYGAMLTSRSZUWEX-INIZCTEOSA-N
XLogP3.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8694227
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747278
1-benzhydryl-4-benzylsulfonylpiperazine
CID 19682697
2-[1-(4-benzylsulfonylpiperazin-1-yl)ethyl]-6-chloro-3-methylquinazolin-4-one
CID 59993147
N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
CID 94605874
2-(4-benzylsulfonylpiperazin-1-yl)pentanoic acid
CID 146134814
(2R)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 124670195
3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 43252306
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 17487617
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine?
The IUPAC name of 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine (CID 9443316) is 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine is C[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine?
The InChIKey is YGAMLTSRSZUWEX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-16(18-9-5-6-10-19(18)20)21-11-13-22(14-12-21)25(23,24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine?
1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine has a molecular weight of 378.93 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine is sourced from PubChem (CID 9443316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).