N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide

C13H17BrF2N2O2S — CID 65499786

IUPACN-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H17BrF2N2O2S/c14-9-7-11(15)13(12(16)8-9)18-21(19,20)6-4-10-3-1-2-5-17-10/h7-8,10,17-18H,1-6H2
InChIKeyBSWOYZBVHZVXSY-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.00
Rot. Bonds5

About N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide

N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 65499786) has the molecular formula C13H17BrF2N2O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
PubChem CID65499786
Molecular FormulaC13H17BrF2N2O2S
Molecular Weight383.26 g/mol
Exact Mass382.02
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H17BrF2N2O2S/c14-9-7-11(15)13(12(16)8-9)18-21(19,20)6-4-10-3-1-2-5-17-10/h7-8,10,17-18H,1-6H2
InChIKeyBSWOYZBVHZVXSY-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 103586278
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693
2-[2-(4-bromophenyl)sulfonylethyl]piperidine
CID 134086037
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide (CID 65499786) is N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide is O=S(=O)(CCC1CCCCN1)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is BSWOYZBVHZVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O2S/c14-9-7-11(15)13(12(16)8-9)18-21(19,20)6-4-10-3-1-2-5-17-10/h7-8,10,17-18H,1-6H2.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide?
N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 383.26 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 65499786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).