N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide

C13H17BrFN3O2S — CID 163344254

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncc(Br)cc2F)C1)C1CC1
InChIInChI=1S/C13H17BrFN3O2S/c14-9-6-12(15)13(16-7-9)18-5-1-2-10(8-18)17-21(19,20)11-3-4-11/h6-7,10-11,17H,1-5,8H2
InChIKeyZRKOYOOSPPBKHA-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.03
Rot. Bonds4

About N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide

N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide (PubChem CID 163344254) has the molecular formula C13H17BrFN3O2S and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide
PubChem CID163344254
Molecular FormulaC13H17BrFN3O2S
Molecular Weight378.27 g/mol
Exact Mass377.02
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncc(Br)cc2F)C1)C1CC1
InChIInChI=1S/C13H17BrFN3O2S/c14-9-6-12(15)13(16-7-9)18-5-1-2-10(8-18)17-21(19,20)11-3-4-11/h6-7,10-11,17H,1-5,8H2
InChIKeyZRKOYOOSPPBKHA-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
N-(1-pyrazin-2-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829489
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide
CID 84586788
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155974121
N-(1-quinazolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829981
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide
CID 163350293
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994184

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide (CID 163344254) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCCN(c2ncc(Br)cc2F)C1)C1CC1.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide?
The InChIKey is ZRKOYOOSPPBKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN3O2S/c14-9-6-12(15)13(16-7-9)18-5-1-2-10(8-18)17-21(19,20)11-3-4-11/h6-7,10-11,17H,1-5,8H2.
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide has a molecular weight of 378.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 163344254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).