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

C11H15BrCl2N2O2S — CID 120713062

IUPAC(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CCN1.Cl
InChIInChI=1S/C11H14BrClN2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-11(13)10(12)6-9;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1
InChIKeyOIDISEWMEAWORW-QRPNPIFTSA-N
MW390.13 g/mol
LogP2.51
Rot. Bonds2

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

(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 120713062) has the molecular formula C11H15BrCl2N2O2S and a molecular weight of 390.13 g/mol. Its IUPAC name is (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID120713062
Molecular FormulaC11H15BrCl2N2O2S
Molecular Weight390.13 g/mol
Exact Mass387.94
IUPAC Name(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CCN1.Cl
InChIInChI=1S/C11H14BrClN2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-11(13)10(12)6-9;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1
InChIKeyOIDISEWMEAWORW-QRPNPIFTSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-nitrophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981813
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426
1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 106546810
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
CID 106613268
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-3-methylpiperazine
CID 65449750
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
CID 106613066

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride (CID 120713062) is (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CCN1.Cl.
What is the InChIKey of (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is OIDISEWMEAWORW-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H14BrClN2O2S.ClH/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-11(13)10(12)6-9;/h2-3,6,8,14H,4-5,7H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride?
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 390.13 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 120713062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).