4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide

C14H12F2N2O3S — CID 35036117

IUPAC4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1
InChIInChI=1S/C14H12F2N2O3S/c1-9-3-2-4-12(17-9)18-13(19)10-5-7-11(8-6-10)22(20,21)14(15)16/h2-8,14H,1H3,(H,17,18,19)
InChIKeyLPMLXXJHUXZIGO-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.64
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide

4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 35036117) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID35036117
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC Name4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1
InChIInChI=1S/C14H12F2N2O3S/c1-9-3-2-4-12(17-9)18-13(19)10-5-7-11(8-6-10)22(20,21)14(15)16/h2-8,14H,1H3,(H,17,18,19)
InChIKeyLPMLXXJHUXZIGO-UHFFFAOYSA-N
XLogP2.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide (CID 35036117) is 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is LPMLXXJHUXZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c1-9-3-2-4-12(17-9)18-13(19)10-5-7-11(8-6-10)22(20,21)14(15)16/h2-8,14H,1H3,(H,17,18,19).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide?
4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 326.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35036117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).