4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine

C12H15BrClNO2S2 — CID 115650840

IUPAC4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CCS1
InChIInChI=1S/C12H15BrClNO2S2/c1-2-10-8-15(5-6-18-10)19(16,17)12-4-3-9(13)7-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyDLPFAPGVMUOVSD-UHFFFAOYSA-N
MW384.75 g/mol
LogP3.62
Rot. Bonds3

About 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine

4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine (PubChem CID 115650840) has the molecular formula C12H15BrClNO2S2 and a molecular weight of 384.75 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine
PubChem CID115650840
Molecular FormulaC12H15BrClNO2S2
Molecular Weight384.75 g/mol
Exact Mass382.94
IUPAC Name4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CCS1
InChIInChI=1S/C12H15BrClNO2S2/c1-2-10-8-15(5-6-18-10)19(16,17)12-4-3-9(13)7-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyDLPFAPGVMUOVSD-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine
CID 113242768
4-(5-bromo-2-methylphenyl)sulfonyl-2-ethylthiomorpholine
CID 115650834
1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
CID 7975709
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
[4-bromo-3-(2-ethylthiomorpholin-4-yl)sulfonyl-5-methylphenyl]methanol
CID 114363321
ethyl 1-(4-bromo-2-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 42997517
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
CID 65244581
1-(4-bromo-2-chlorophenyl)sulfonyl-4-tert-butylpiperidine
CID 63420879
(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
CID 107225177
4-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethylthiomorpholine
CID 115650859
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 62959424

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine?
The IUPAC name of 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine (CID 115650840) is 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine?
The canonical SMILES for 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine is CCC1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CCS1.
What is the InChIKey of 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine?
The InChIKey is DLPFAPGVMUOVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S2/c1-2-10-8-15(5-6-18-10)19(16,17)12-4-3-9(13)7-11(12)14/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine?
4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine has a molecular weight of 384.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylthiomorpholine is sourced from PubChem (CID 115650840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).