1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide

C13H10FN3O2S — CID 107595131

IUPAC1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C13H10FN3O2S/c14-12-8-16-6-5-13(12)17-20(18,19)9-11-4-2-1-3-10(11)7-15/h1-6,8H,9H2,(H,16,17)
InChIKeyBJZAVVAHNQQMBO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.03
Rot. Bonds4

About 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide

1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide (PubChem CID 107595131) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
PubChem CID107595131
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C13H10FN3O2S/c14-12-8-16-6-5-13(12)17-20(18,19)9-11-4-2-1-3-10(11)7-15/h1-6,8H,9H2,(H,16,17)
InChIKeyBJZAVVAHNQQMBO-UHFFFAOYSA-N
XLogP2.03
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 29031167
1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595287
1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
CID 60729368
N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 28895851
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107594674
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391
1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66354772
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide (CID 107595131) is 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)Nc1ccncc1F.
What is the InChIKey of 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The InChIKey is BJZAVVAHNQQMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c14-12-8-16-6-5-13(12)17-20(18,19)9-11-4-2-1-3-10(11)7-15/h1-6,8H,9H2,(H,16,17).
What are the key properties of 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide has a molecular weight of 291.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide is sourced from PubChem (CID 107595131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).