(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride

C11H15BrClFN2O2S — CID 120713063

IUPAC(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)CCN1.Cl
InChIInChI=1S/C11H14BrFN2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)11-3-2-9(12)6-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1
InChIKeyXZHVRNYWTWPJRW-QRPNPIFTSA-N
MW373.68 g/mol
LogP1.99
Rot. Bonds2

About (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride

(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 120713063) has the molecular formula C11H15BrClFN2O2S and a molecular weight of 373.68 g/mol. Its IUPAC name is (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID120713063
Molecular FormulaC11H15BrClFN2O2S
Molecular Weight373.68 g/mol
Exact Mass371.97
IUPAC Name(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)CCN1.Cl
InChIInChI=1S/C11H14BrFN2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)11-3-2-9(12)6-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1
InChIKeyXZHVRNYWTWPJRW-QRPNPIFTSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710377
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 104975070
1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride
CID 120712878
1-(4-bromo-2-nitrophenyl)sulfonyl-3-methylpiperazine
CID 119982172
1-(2-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperazine
CID 65449190
(3R)-1-(2-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104975127
1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981915
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942
N-[3-fluoro-4-[(3R)-3-methylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 104974956
1-(3-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710424
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (CID 120713063) is (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)CCN1.Cl.
What is the InChIKey of (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is XZHVRNYWTWPJRW-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)11-3-2-9(12)6-10(11)13;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 120713063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).