5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide

C14H14N2O3S — CID 146154732

IUPAC5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)NS(C)(=O)=O)c2)c1
InChIInChI=1S/C14H14N2O3S/c1-10-4-3-5-11(6-10)12-7-13(9-15-8-12)14(17)16-20(2,18)19/h3-9H,1-2H3,(H,16,17)
InChIKeyZTVRKGIJWFFIKZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.75
Rot. Bonds3

About 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide

5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide (PubChem CID 146154732) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
PubChem CID146154732
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)NS(C)(=O)=O)c2)c1
InChIInChI=1S/C14H14N2O3S/c1-10-4-3-5-11(6-10)12-7-13(9-15-8-12)14(17)16-20(2,18)19/h3-9H,1-2H3,(H,16,17)
InChIKeyZTVRKGIJWFFIKZ-UHFFFAOYSA-N
XLogP1.75
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide (CID 146154732) is 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide is Cc1cccc(-c2cncc(C(=O)NS(C)(=O)=O)c2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide?
The InChIKey is ZTVRKGIJWFFIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-4-3-5-11(6-10)12-7-13(9-15-8-12)14(17)16-20(2,18)19/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide?
5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 146154732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).