1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine

C18H20Cl2N2O2S — CID 113074122

IUPAC1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)ccc1Cl
InChIInChI=1S/C18H20Cl2N2O2S/c1-14-12-16(6-7-17(14)19)25(23,24)22-10-8-21(9-11-22)13-15-4-2-3-5-18(15)20/h2-7,12H,8-11,13H2,1H3
InChIKeyNEQLHMXVCMOABB-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.81
Rot. Bonds4

About 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine

1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine (PubChem CID 113074122) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
PubChem CID113074122
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)ccc1Cl
InChIInChI=1S/C18H20Cl2N2O2S/c1-14-12-16(6-7-17(14)19)25(23,24)22-10-8-21(9-11-22)13-15-4-2-3-5-18(15)20/h2-7,12H,8-11,13H2,1H3
InChIKeyNEQLHMXVCMOABB-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
CID 22207943
1-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 9435627
1-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 157156658
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 37498592
1-[(2-chloro-4-fluorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 22204940
1-(4-chloro-3-methylphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075058
1-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
CID 126477381
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 22208096
1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 9300907
1-[(2-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073947
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991746

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine (CID 113074122) is 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine is Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine?
The InChIKey is NEQLHMXVCMOABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c1-14-12-16(6-7-17(14)19)25(23,24)22-10-8-21(9-11-22)13-15-4-2-3-5-18(15)20/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine?
1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine has a molecular weight of 399.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 113074122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).