1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine

C12H16BrClN2O3S — CID 119970051

IUPAC1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
SMILESCOc1cc(Br)c(S(=O)(=O)N2CCNCC2C)cc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c1-8-7-15-3-4-16(8)20(17,18)12-6-10(14)11(19-2)5-9(12)13/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyCWHSLGGZPQHGPG-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine

1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine (PubChem CID 119970051) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
PubChem CID119970051
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
SMILESCOc1cc(Br)c(S(=O)(=O)N2CCNCC2C)cc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c1-8-7-15-3-4-16(8)20(17,18)12-6-10(14)11(19-2)5-9(12)13/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyCWHSLGGZPQHGPG-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine
CID 82745353
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969956
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708143
1-(2-bromo-5-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 119969907
1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982192
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969646
(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717119
(2S)-1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717062
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
methyl 3-bromo-4-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119969763
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725803

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine (CID 119970051) is 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine is COc1cc(Br)c(S(=O)(=O)N2CCNCC2C)cc1Cl.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine?
The InChIKey is CWHSLGGZPQHGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c1-8-7-15-3-4-16(8)20(17,18)12-6-10(14)11(19-2)5-9(12)13/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine?
1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine has a molecular weight of 383.70 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 119970051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).