3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide

C16H14N4O3S — CID 25345447

IUPAC3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C16H14N4O3S/c1-24(22,23)14-5-2-4-12(10-14)16(21)19-13-6-7-15(17-11-13)20-9-3-8-18-20/h2-11H,1H3,(H,19,21)
InChIKeySCGYHYORUPNSMO-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.92
Rot. Bonds4

About 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide

3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide (PubChem CID 25345447) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
PubChem CID25345447
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C16H14N4O3S/c1-24(22,23)14-5-2-4-12(10-14)16(21)19-13-6-7-15(17-11-13)20-9-3-8-18-20/h2-11H,1H3,(H,19,21)
InChIKeySCGYHYORUPNSMO-UHFFFAOYSA-N
XLogP1.92
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide (CID 25345447) is 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cccn3)nc2)c1.
What is the InChIKey of 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The InChIKey is SCGYHYORUPNSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-24(22,23)14-5-2-4-12(10-14)16(21)19-13-6-7-15(17-11-13)20-9-3-8-18-20/h2-11H,1H3,(H,19,21).
What are the key properties of 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide has a molecular weight of 342.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 25345447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).