2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

C11H8F2N2O2S — CID 113340997

IUPAC2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1ccccc1F
InChIInChI=1S/C11H8F2N2O2S/c12-8-3-1-2-4-11(8)18(16,17)15-10-5-6-14-7-9(10)13/h1-7H,(H,14,15)
InChIKeyHEGCTTYTYYBCQW-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.16
Rot. Bonds3

About 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (PubChem CID 113340997) has the molecular formula C11H8F2N2O2S and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
PubChem CID113340997
Molecular FormulaC11H8F2N2O2S
Molecular Weight270.26 g/mol
Exact Mass270.03
IUPAC Name2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1ccccc1F
InChIInChI=1S/C11H8F2N2O2S/c12-8-3-1-2-4-11(8)18(16,17)15-10-5-6-14-7-9(10)13/h1-7H,(H,14,15)
InChIKeyHEGCTTYTYYBCQW-UHFFFAOYSA-N
XLogP2.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
2-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616158
5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 107594731
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 107595249
5-amino-N-(3-fluoro-4-pyridinyl)-2-nitrobenzenesulfonamide
CID 107595401
1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595287
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
CID 75392083
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (CID 113340997) is 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccncc1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The InChIKey is HEGCTTYTYYBCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2S/c12-8-3-1-2-4-11(8)18(16,17)15-10-5-6-14-7-9(10)13/h1-7H,(H,14,15).
What are the key properties of 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide has a molecular weight of 270.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 113340997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).