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

C14H13N3O2S — CID 63327321

IUPAC1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
SMILESCc1ccncc1NS(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C14H13N3O2S/c1-11-6-7-16-9-14(11)17-20(18,19)10-13-5-3-2-4-12(13)8-15/h2-7,9,17H,10H2,1H3
InChIKeyJOJKWBFWPMEYFP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.20
Rot. Bonds4

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

1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide (PubChem CID 63327321) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
PubChem CID63327321
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
SMILESCc1ccncc1NS(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C14H13N3O2S/c1-11-6-7-16-9-14(11)17-20(18,19)10-13-5-3-2-4-12(13)8-15/h2-7,9,17H,10H2,1H3
InChIKeyJOJKWBFWPMEYFP-UHFFFAOYSA-N
XLogP2.20
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75449066
1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
CID 60729368
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
1-(2-cyanophenyl)-N-(6-methoxy-3-pyridinyl)methanesulfonamide
CID 29037208
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
N-(5-amino-2-fluorophenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 29031167
N-(5-chloro-2-hydroxyphenyl)-1-(2-cyanophenyl)methanesulfonamide
CID 28895851
1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 103830213
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide (CID 63327321) is 1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide is Cc1ccncc1NS(=O)(=O)Cc1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide?
The InChIKey is JOJKWBFWPMEYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-11-6-7-16-9-14(11)17-20(18,19)10-13-5-3-2-4-12(13)8-15/h2-7,9,17H,10H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.20, 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-(4-methyl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 63327321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).