N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide

C7H6BrF3N2O2S — CID 129188589

IUPACN-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1ncccc1Br
InChIInChI=1S/C7H6BrF3N2O2S/c8-5-2-1-3-12-6(5)13-16(14,15)4-7(9,10)11/h1-3H,4H2,(H,12,13)
InChIKeyKZDUPSOZTMFTJP-UHFFFAOYSA-N
MW319.10 g/mol
LogP2.15
Rot. Bonds3

About N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide

N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 129188589) has the molecular formula C7H6BrF3N2O2S and a molecular weight of 319.10 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide
PubChem CID129188589
Molecular FormulaC7H6BrF3N2O2S
Molecular Weight319.10 g/mol
Exact Mass317.93
IUPAC NameN-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1ncccc1Br
InChIInChI=1S/C7H6BrF3N2O2S/c8-5-2-1-3-12-6(5)13-16(14,15)4-7(9,10)11/h1-3H,4H2,(H,12,13)
InChIKeyKZDUPSOZTMFTJP-UHFFFAOYSA-N
XLogP2.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide (CID 129188589) is N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide is O=S(=O)(CC(F)(F)F)Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is KZDUPSOZTMFTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O2S/c8-5-2-1-3-12-6(5)13-16(14,15)4-7(9,10)11/h1-3H,4H2,(H,12,13).
What are the key properties of N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide?
N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 319.10 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 129188589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).