2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide

C13H10FN3O2S — CID 106595893

IUPAC2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H10FN3O2S/c1-17(12-6-3-2-5-10(12)14)20(18,19)13-7-4-8-16-11(13)9-15/h2-8H,1H3
InChIKeyFFBPIPONUMJLKZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.92
Rot. Bonds3

About 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide

2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide (PubChem CID 106595893) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
PubChem CID106595893
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H10FN3O2S/c1-17(12-6-3-2-5-10(12)14)20(18,19)13-7-4-8-16-11(13)9-15/h2-8H,1H3
InChIKeyFFBPIPONUMJLKZ-UHFFFAOYSA-N
XLogP1.92
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide
CID 106595245
N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106593160
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 106546805
2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 103988558
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
CID 106545670
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
CID 100632666
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide (CID 106595893) is 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide is CN(c1ccccc1F)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is FFBPIPONUMJLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-17(12-6-3-2-5-10(12)14)20(18,19)13-7-4-8-16-11(13)9-15/h2-8H,1H3.
What are the key properties of 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide?
2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 291.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 106595893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).