1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride

C11H15BrCl2N2O3S — CID 119961646

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C11H14BrClN2O3S.ClH/c1-18-11-9(12)6-8(13)7-10(11)19(16,17)15-4-2-14-3-5-15;/h6-7,14H,2-5H2,1H3;1H
InChIKeyXZDVEHGLFXYOPN-UHFFFAOYSA-N
MW406.13 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride

1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119961646) has the molecular formula C11H15BrCl2N2O3S and a molecular weight of 406.13 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
PubChem CID119961646
Molecular FormulaC11H15BrCl2N2O3S
Molecular Weight406.13 g/mol
Exact Mass403.94
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C11H14BrClN2O3S.ClH/c1-18-11-9(12)6-8(13)7-10(11)19(16,17)15-4-2-14-3-5-15;/h6-7,14H,2-5H2,1H3;1H
InChIKeyXZDVEHGLFXYOPN-UHFFFAOYSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.13
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloro-2-methoxybenzenesulfonyl)piperazine
CID 1071339
3-bromo-5-chloro-2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668329
(3S)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 171357933
3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834105
3-bromo-5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836915
3-bromo-5-chloro-2-methoxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzenesulfonamide
CID 112826110
N-(3-amino-2,2-difluoropropyl)-3-bromo-5-chloro-2-methoxybenzenesulfonamide
CID 114383968
N-(3-amino-2,2-difluoropropyl)-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120404987
(3S)-1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-amine
CID 124403993
3-bromo-5-chloro-2-methoxy-N-methylbenzenesulfonamide
CID 25668359
[4-(3-Bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 32084433
1-(5-Chloro-2-methoxy-benzenesulfonyl)-piperazine hydrochloride
CID 46743495

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride (CID 119961646) is 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride is COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is XZDVEHGLFXYOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S.ClH/c1-18-11-9(12)6-8(13)7-10(11)19(16,17)15-4-2-14-3-5-15;/h6-7,14H,2-5H2,1H3;1H.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride?
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 406.13 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119961646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).