1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine

C11H13BrF2N2O2S — CID 43605515

IUPAC1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C11H13BrF2N2O2S/c12-9-4-7(13)5-10(14)11(9)19(17,18)16-3-1-2-8(15)6-16/h4-5,8H,1-3,6,15H2
InChIKeySMQRGRIEXPOEGA-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.84
Rot. Bonds2

About 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine

1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine (PubChem CID 43605515) has the molecular formula C11H13BrF2N2O2S and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
PubChem CID43605515
Molecular FormulaC11H13BrF2N2O2S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C11H13BrF2N2O2S/c12-9-4-7(13)5-10(14)11(9)19(17,18)16-3-1-2-8(15)6-16/h4-5,8H,1-3,6,15H2
InChIKeySMQRGRIEXPOEGA-UHFFFAOYSA-N
XLogP1.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
CID 55029986
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962604
(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-amine
CID 166174792
1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300442
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine
CID 120706061
8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235732
1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
CID 120998816
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706060
(1R)-1-[(3S)-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 129379188
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine (CID 43605515) is 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine is NC1CCCN(S(=O)(=O)c2c(F)cc(F)cc2Br)C1.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine?
The InChIKey is SMQRGRIEXPOEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2S/c12-9-4-7(13)5-10(14)11(9)19(17,18)16-3-1-2-8(15)6-16/h4-5,8H,1-3,6,15H2.
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine?
1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine has a molecular weight of 355.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 43605515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).