1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine

C11H14Br2N2O4S2 — CID 60640129

IUPAC1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C11H14Br2N2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7H2,1H3
InChIKeyWPPIOEHIXBILPP-UHFFFAOYSA-N
MW462.19 g/mol
LogP1.48
Rot. Bonds3

About 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine

1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine (PubChem CID 60640129) has the molecular formula C11H14Br2N2O4S2 and a molecular weight of 462.19 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
PubChem CID60640129
Molecular FormulaC11H14Br2N2O4S2
Molecular Weight462.19 g/mol
Exact Mass459.88
IUPAC Name1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C11H14Br2N2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7H2,1H3
InChIKeyWPPIOEHIXBILPP-UHFFFAOYSA-N
XLogP1.48
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 116528265
1-(2,5-dibromophenyl)sulfonyl-4-ethylpiperidine
CID 47306024
1-(2-bromoethyl)-4-(2,5-dibromophenyl)sulfonylpiperazine
CID 80675604
1-(2,5-dibromophenyl)sulfonyl-4-ethyl-1,4-diazepane
CID 56541645
1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol
CID 43394309
1-(2,5-dibromophenyl)sulfonylazetidin-3-ol
CID 63106090
1-[1-(2,5-dibromophenyl)sulfonylpiperidin-4-yl]ethanone
CID 63846251
4-(2,5-dibromophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 52865075
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
1-(2,5-dibromophenyl)sulfonylimidazolidin-2-one
CID 61216229
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 103697257

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine (CID 60640129) is 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine?
The InChIKey is WPPIOEHIXBILPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-8-9(12)2-3-10(11)13/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine?
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine has a molecular weight of 462.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 60640129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).