1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine

C14H13Br2ClN2O2S2 — CID 3587621

IUPAC1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cc(Br)c(Br)s1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H13Br2ClN2O2S2/c15-10-9-13(22-14(10)16)23(20,21)19-7-5-18(6-8-19)12-4-2-1-3-11(12)17/h1-4,9H,5-8H2
InChIKeyGOLFFIXUDYKDDV-UHFFFAOYSA-N
MW500.67 g/mol
LogP4.44
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine

1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine (PubChem CID 3587621) has the molecular formula C14H13Br2ClN2O2S2 and a molecular weight of 500.67 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine
PubChem CID3587621
Molecular FormulaC14H13Br2ClN2O2S2
Molecular Weight500.67 g/mol
Exact Mass497.85
IUPAC Name1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine
SMILESO=S(=O)(c1cc(Br)c(Br)s1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H13Br2ClN2O2S2/c15-10-9-13(22-14(10)16)23(20,21)19-7-5-18(6-8-19)12-4-2-1-3-11(12)17/h1-4,9H,5-8H2
InChIKeyGOLFFIXUDYKDDV-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.67
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dibromothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 5003165
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
1-(4,5-dibromothiophen-2-yl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 4108166
[1-(4,5-dibromothiophen-2-yl)sulfonyl-4-phenylpyrrolidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 69377935
1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine
CID 23853829
1-(4,5-dibromothiophen-2-yl)sulfonyl-4-propylpiperazin-4-ium
CID 4076965
4-(4-bromo-5-chlorothiophen-2-yl)sulfonylthiomorpholine
CID 2741062
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 3554016
1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 2098005
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 35326952
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
CID 113076649

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine (CID 3587621) is 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine is O=S(=O)(c1cc(Br)c(Br)s1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine?
The InChIKey is GOLFFIXUDYKDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2ClN2O2S2/c15-10-9-13(22-14(10)16)23(20,21)19-7-5-18(6-8-19)12-4-2-1-3-11(12)17/h1-4,9H,5-8H2.
What are the key properties of 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine?
1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine has a molecular weight of 500.67 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 3587621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).