1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate

C11H11BF4NO2S- — CID 175572569

IUPAC1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate
SMILESF[B-](F)(F)F.O=S(=O)(c1ccccc1)N1C=CC=CC1
InChIInChI=1S/C11H11NO2S.BF4/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5/h1-9H,10H2;/q;-1
InChIKeyYSSSODSMLJJZHJ-UHFFFAOYSA-N
MW308.09 g/mol
LogP3.06
Rot. Bonds2

About 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate

1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate (PubChem CID 175572569) has the molecular formula C11H11BF4NO2S- and a molecular weight of 308.09 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate
PubChem CID175572569
Molecular FormulaC11H11BF4NO2S-
Molecular Weight308.09 g/mol
Exact Mass308.05
IUPAC Name1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate
SMILESF[B-](F)(F)F.O=S(=O)(c1ccccc1)N1C=CC=CC1
InChIInChI=1S/C11H11NO2S.BF4/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5/h1-9H,10H2;/q;-1
InChIKeyYSSSODSMLJJZHJ-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfonyl-2H-pyridine
CID 91483692
azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate
CID 88812164
1-(benzenesulfonyl)-3-fluoroazetidine
CID 141433694
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-[1-(benzenesulfonyl)-2H-pyridin-4-yl]piperazine
CID 154641562
CID 134948241
CID 134948241
9-(benzenesulfonyl)-4,5-dibromo-9-azabicyclo[6.1.0]nonane
CID 56688951
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
(1S,6R)-7-(benzenesulfonyl)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene
CID 94036916
1-(benzenesulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770434
6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylic acid
CID 123544710
CID 23392730
CID 23392730

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate?
The IUPAC name of 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate (CID 175572569) is 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate.
What is the SMILES notation for 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate?
The canonical SMILES for 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate is F[B-](F)(F)F.O=S(=O)(c1ccccc1)N1C=CC=CC1.
What is the InChIKey of 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate?
The InChIKey is YSSSODSMLJJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S.BF4/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5/h1-9H,10H2;/q;-1.
What are the key properties of 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate?
1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate has a molecular weight of 308.09 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2H-pyridine tetrafluoroborate is sourced from PubChem (CID 175572569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).