4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine

C12H15BrFNO2S2 — CID 103697971

IUPAC4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CC(C)S1
InChIInChI=1S/C12H15BrFNO2S2/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyBHHCRJPENWRJIH-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.10
Rot. Bonds2

About 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine

4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine (PubChem CID 103697971) has the molecular formula C12H15BrFNO2S2 and a molecular weight of 368.29 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine
PubChem CID103697971
Molecular FormulaC12H15BrFNO2S2
Molecular Weight368.29 g/mol
Exact Mass366.97
IUPAC Name4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CC(C)S1
InChIInChI=1S/C12H15BrFNO2S2/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyBHHCRJPENWRJIH-UHFFFAOYSA-N
XLogP3.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 103697257
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107650396
1-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylpiperazine
CID 107650120
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
CID 103697564
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 107093333
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 113349608
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
CID 113242547
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine (CID 103697971) is 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine is CC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CC(C)S1.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine?
The InChIKey is BHHCRJPENWRJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S2/c1-8-6-15(7-9(2)18-8)19(16,17)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine?
4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine has a molecular weight of 368.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine is sourced from PubChem (CID 103697971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).