2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide

C12H8BrFN2O3S — CID 25001679

IUPAC2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccnc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H8BrFN2O3S/c13-11-6-8(14)3-4-10(11)12(17)16-20(18,19)9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKeyHFCBFEHZUGOJHW-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.10
Rot. Bonds3

About 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide

2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide (PubChem CID 25001679) has the molecular formula C12H8BrFN2O3S and a molecular weight of 359.18 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide
PubChem CID25001679
Molecular FormulaC12H8BrFN2O3S
Molecular Weight359.18 g/mol
Exact Mass357.94
IUPAC Name2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccnc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H8BrFN2O3S/c13-11-6-8(14)3-4-10(11)12(17)16-20(18,19)9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKeyHFCBFEHZUGOJHW-UHFFFAOYSA-N
XLogP2.10
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide (CID 25001679) is 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide is O=C(NS(=O)(=O)c1cccnc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide?
The InChIKey is HFCBFEHZUGOJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O3S/c13-11-6-8(14)3-4-10(11)12(17)16-20(18,19)9-2-1-5-15-7-9/h1-7H,(H,16,17).
What are the key properties of 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide?
2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide has a molecular weight of 359.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-pyridin-3-ylsulfonylbenzamide is sourced from PubChem (CID 25001679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).