1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride

C12H17BrCl2N2O2S — CID 120725927

IUPAC1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
SMILESCC1NCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1C.Cl
InChIInChI=1S/C12H16BrClN2O2S.ClH/c1-8-9(2)16(6-5-15-8)19(17,18)10-3-4-11(13)12(14)7-10;/h3-4,7-9,15H,5-6H2,1-2H3;1H
InChIKeyYNZAWEKQTCDGQN-UHFFFAOYSA-N
MW404.16 g/mol
LogP2.90
Rot. Bonds2

About 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride

1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride (PubChem CID 120725927) has the molecular formula C12H17BrCl2N2O2S and a molecular weight of 404.16 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
PubChem CID120725927
Molecular FormulaC12H17BrCl2N2O2S
Molecular Weight404.16 g/mol
Exact Mass401.96
IUPAC Name1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
SMILESCC1NCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1C.Cl
InChIInChI=1S/C12H16BrClN2O2S.ClH/c1-8-9(2)16(6-5-15-8)19(17,18)10-3-4-11(13)12(14)7-10;/h3-4,7-9,15H,5-6H2,1-2H3;1H
InChIKeyYNZAWEKQTCDGQN-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.16
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725401
1-(3-bromo-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725624
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-2,3-dimethylpiperazine
CID 120725618
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726084
1-(3-bromo-5-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725861
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
CID 120725706
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725829
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120876566

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride (CID 120725927) is 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride is CC1NCCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1C.Cl.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
The InChIKey is YNZAWEKQTCDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S.ClH/c1-8-9(2)16(6-5-15-8)19(17,18)10-3-4-11(13)12(14)7-10;/h3-4,7-9,15H,5-6H2,1-2H3;1H.
What are the key properties of 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride?
1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride has a molecular weight of 404.16 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 120725927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).