1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine

C15H15BrCl2N2O2S2 — CID 30172890

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H15BrCl2N2O2S2/c16-11-8-13(17)15(14(18)9-11)24(21,22)20-5-3-19(4-6-20)10-12-2-1-7-23-12/h1-2,7-9H,3-6,10H2
InChIKeyNTXKBNHMEDARQR-UHFFFAOYSA-N
MW470.24 g/mol
LogP4.32
Rot. Bonds4

About 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 30172890) has the molecular formula C15H15BrCl2N2O2S2 and a molecular weight of 470.24 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
PubChem CID30172890
Molecular FormulaC15H15BrCl2N2O2S2
Molecular Weight470.24 g/mol
Exact Mass467.91
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C15H15BrCl2N2O2S2/c16-11-8-13(17)15(14(18)9-11)24(21,22)20-5-3-19(4-6-20)10-12-2-1-7-23-12/h1-2,7-9H,3-6,10H2
InChIKeyNTXKBNHMEDARQR-UHFFFAOYSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 83084047
3,5-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 17060357
1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 17446186
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 30172844
(E)-1-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 2446199
1-(chloromethylsulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 55245637
1-[(3,4-dichlorophenyl)methylsulfonyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 56582044
1-(thiophen-2-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30990917
1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 60929020
1-naphthalen-2-ylsulfonyl-4-(thiophen-2-ylmethyl)piperazine;oxalic acid
CID 90481345
1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 17422638
1-pyridin-3-ylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 131936945

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine (CID 30172890) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine is O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is NTXKBNHMEDARQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O2S2/c16-11-8-13(17)15(14(18)9-11)24(21,22)20-5-3-19(4-6-20)10-12-2-1-7-23-12/h1-2,7-9H,3-6,10H2.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 470.24 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 30172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).