1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine

C12H17BrN2O4S — CID 4738882

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1cc(Br)c(S(=O)(=O)N2CCNCC2)cc1OC
InChIInChI=1S/C12H17BrN2O4S/c1-18-10-7-9(13)12(8-11(10)19-2)20(16,17)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3
InChIKeyAMJKNYRKPARXMJ-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.06
Rot. Bonds4

About 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine

1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 4738882) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine
PubChem CID4738882
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1cc(Br)c(S(=O)(=O)N2CCNCC2)cc1OC
InChIInChI=1S/C12H17BrN2O4S/c1-18-10-7-9(13)12(8-11(10)19-2)20(16,17)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3
InChIKeyAMJKNYRKPARXMJ-UHFFFAOYSA-N
XLogP1.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-Dimethoxyphenyl)sulfonyl]piperazine
CID 2769442
4-(2-Bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 45835976
1-(3,4-Dimethoxyphenyl)sulfonylpiperazine;hydrochloride
CID 24245126
2-bromo-4,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 9186307
2-Bromo-4,5-dimethoxy-1-[(4-methylpiperazinyl)sulfonyl]benzene
CID 1184066
4-(2-Bromo-4,5-dimethoxyphenyl)sulfonylmorpholine
CID 990999
2-Bromo-4,5-dimethoxybenzenesulfonamide
CID 4962584
2-bromo-4,5-dimethoxy-N-prop-2-ynylbenzenesulfonamide
CID 9188259
1H-Pyrrole, 1-[(2-bromo-4,5-dimethoxyphenyl)sulfonyl]-2,5-dihydro-
CID 12192976
N-allyl-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 60664998
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 102413535
1-(2-Bromo-4,5-dimethoxyphenyl)sulfonyl-3-methyl-2,5-dihydropyrrole
CID 129861366

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine (CID 4738882) is 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine is COc1cc(Br)c(S(=O)(=O)N2CCNCC2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is AMJKNYRKPARXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-18-10-7-9(13)12(8-11(10)19-2)20(16,17)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine?
1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 365.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 4738882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).