N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide

C15H14F2N2O3S — CID 1486242

IUPACN-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C15H14F2N2O3S/c1-9(2)23(21,22)14-6-3-10(8-18-14)15(20)19-13-5-4-11(16)7-12(13)17/h3-9H,1-2H3,(H,19,20)
InChIKeyLZPZXUXCUDCYGU-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.79
Rot. Bonds4

About N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide

N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide (PubChem CID 1486242) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide
PubChem CID1486242
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC NameN-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C15H14F2N2O3S/c1-9(2)23(21,22)14-6-3-10(8-18-14)15(20)19-13-5-4-11(16)7-12(13)17/h3-9H,1-2H3,(H,19,20)
InChIKeyLZPZXUXCUDCYGU-UHFFFAOYSA-N
XLogP2.79
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide (CID 1486242) is N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide is CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide?
The InChIKey is LZPZXUXCUDCYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c1-9(2)23(21,22)14-6-3-10(8-18-14)15(20)19-13-5-4-11(16)7-12(13)17/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide?
N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-propan-2-ylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 1486242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).