1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine

C17H18Cl2N2O2S — CID 8743546

IUPAC1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-16-7-4-8-17(19)15(16)13-20-9-11-21(12-10-20)24(22,23)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyUXIWFTHITLZCBV-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.50
Rot. Bonds4

About 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine

1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine (PubChem CID 8743546) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
PubChem CID8743546
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-16-7-4-8-17(19)15(16)13-20-9-11-21(12-10-20)24(22,23)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyUXIWFTHITLZCBV-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
CID 47147117
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 51178795
1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazine
CID 17349681
1-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22204929
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 45017329

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine (CID 8743546) is 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine is O=S(=O)(c1ccccc1)N1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The InChIKey is UXIWFTHITLZCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-16-7-4-8-17(19)15(16)13-20-9-11-21(12-10-20)24(22,23)14-5-2-1-3-6-14/h1-8H,9-13H2.
What are the key properties of 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine has a molecular weight of 385.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 8743546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).