1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine

C12H16BrClN2O2S — CID 7975709

IUPAC1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C12H16BrClN2O2S/c1-2-15-5-7-16(8-6-15)19(17,18)12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8H2,1H3
InChIKeyYSRASZVUIBKYMG-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.43
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine

1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine (PubChem CID 7975709) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
PubChem CID7975709
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C12H16BrClN2O2S/c1-2-15-5-7-16(8-6-15)19(17,18)12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8H2,1H3
InChIKeyYSRASZVUIBKYMG-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-bromoethyl)piperazine
CID 80675496
1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 6469732
1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47117988
1-(2,5-dibromophenyl)sulfonyl-4-ethyl-1,4-diazepane
CID 56541645
2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63309889
5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142320
(3aR,7aS)-2-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 31115509
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40941996
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40941994
1-(4-bromo-2-chlorophenyl)sulfonyl-4-tert-butylpiperidine
CID 63420879
4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine
CID 115650840
1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine (CID 7975709) is 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine?
The InChIKey is YSRASZVUIBKYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c1-2-15-5-7-16(8-6-15)19(17,18)12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine?
1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine has a molecular weight of 367.70 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 7975709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).