1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride

C12H17BrClFN2O2S — CID 120712878

IUPAC1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Br)cc2F)C(C)CN1.Cl
InChIInChI=1S/C12H16BrFN2O2S.ClH/c1-8-7-16(9(2)6-15-8)19(17,18)12-4-3-10(13)5-11(12)14;/h3-5,8-9,15H,6-7H2,1-2H3;1H
InChIKeyVOJFMGMUKGIHJS-UHFFFAOYSA-N
MW387.70 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride

1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride (PubChem CID 120712878) has the molecular formula C12H17BrClFN2O2S and a molecular weight of 387.70 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride
PubChem CID120712878
Molecular FormulaC12H17BrClFN2O2S
Molecular Weight387.70 g/mol
Exact Mass385.99
IUPAC Name1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Br)cc2F)C(C)CN1.Cl
InChIInChI=1S/C12H16BrFN2O2S.ClH/c1-8-7-16(9(2)6-15-8)19(17,18)12-4-3-10(13)5-11(12)14;/h3-5,8-9,15H,6-7H2,1-2H3;1H
InChIKeyVOJFMGMUKGIHJS-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
4-(4-bromo-2-fluorophenyl)sulfonyl-1,2,6-trimethylpiperazine
CID 114389646
5-(4-bromo-2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116527932
1-(4-bromo-2-fluorophenyl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 116527823
1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one
CID 116528601
7-(4-bromo-2-fluorophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116528707
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 64979870
(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717119
5-[(2R,5S)-2,5-dimethylpiperazin-1-yl]sulfonyl-4-methylisoquinoline
CID 70272422
5-(4-bromo-2-fluorophenyl)sulfonyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 116527935
1-(4-bromo-2-fluorophenyl)sulfonylpiperazine-2-carboxylic acid
CID 116527916
2,5-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 64980332

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride (CID 120712878) is 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride is CC1CN(S(=O)(=O)c2ccc(Br)cc2F)C(C)CN1.Cl.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride?
The InChIKey is VOJFMGMUKGIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S.ClH/c1-8-7-16(9(2)6-15-8)19(17,18)12-4-3-10(13)5-11(12)14;/h3-5,8-9,15H,6-7H2,1-2H3;1H.
What are the key properties of 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride?
1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride has a molecular weight of 387.70 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120712878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).