1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine

C13H18BrFN2O2S — CID 107093333

IUPAC1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCC1N
InChIInChI=1S/C13H18BrFN2O2S/c1-2-9-8-17(6-5-13(9)16)20(18,19)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,2,5-6,8,16H2,1H3
InChIKeyFKYVJVAIBKUOCM-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine

1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine (PubChem CID 107093333) has the molecular formula C13H18BrFN2O2S and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
PubChem CID107093333
Molecular FormulaC13H18BrFN2O2S
Molecular Weight365.27 g/mol
Exact Mass364.03
IUPAC Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCC1N
InChIInChI=1S/C13H18BrFN2O2S/c1-2-9-8-17(6-5-13(9)16)20(18,19)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,2,5-6,8,16H2,1H3
InChIKeyFKYVJVAIBKUOCM-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
CID 113242547
2-[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]acetic acid
CID 106703051
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
N-[[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990644
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
1-[(5-bromo-3-pyridinyl)sulfonyl]-3-ethylpiperidin-4-amine
CID 81456896
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
CID 103697564
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine (CID 107093333) is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine is CCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCC1N.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine?
The InChIKey is FKYVJVAIBKUOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2S/c1-2-9-8-17(6-5-13(9)16)20(18,19)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,2,5-6,8,16H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine?
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine has a molecular weight of 365.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine is sourced from PubChem (CID 107093333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).