1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine

C19H22BrClN2O3S — CID 91670040

IUPAC1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine
SMILESCCOc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)ccc1Br
InChIInChI=1S/C19H22BrClN2O3S/c1-3-26-19-13-15(7-8-16(19)20)27(24,25)23-11-9-22(10-12-23)18-6-4-5-17(21)14(18)2/h4-8,13H,3,9-12H2,1-2H3
InChIKeyHMXLEWOKWCFGTR-UHFFFAOYSA-N
MW473.82 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine

1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine (PubChem CID 91670040) has the molecular formula C19H22BrClN2O3S and a molecular weight of 473.82 g/mol. Its IUPAC name is 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine
PubChem CID91670040
Molecular FormulaC19H22BrClN2O3S
Molecular Weight473.82 g/mol
Exact Mass472.02
IUPAC Name1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine
SMILESCCOc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)ccc1Br
InChIInChI=1S/C19H22BrClN2O3S/c1-3-26-19-13-15(7-8-16(19)20)27(24,25)23-11-9-22(10-12-23)18-6-4-5-17(21)14(18)2/h4-8,13H,3,9-12H2,1-2H3
InChIKeyHMXLEWOKWCFGTR-UHFFFAOYSA-N
XLogP4.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.82
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 91670020
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 1243645
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 91669913

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine?
The IUPAC name of 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine (CID 91670040) is 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine?
The canonical SMILES for 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine is CCOc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine?
The InChIKey is HMXLEWOKWCFGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN2O3S/c1-3-26-19-13-15(7-8-16(19)20)27(24,25)23-11-9-22(10-12-23)18-6-4-5-17(21)14(18)2/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine?
1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine has a molecular weight of 473.82 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine is sourced from PubChem (CID 91670040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).