2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide

C19H14F2N2O4S — CID 69404386

IUPAC2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1S(=O)(=O)c1ccc(COc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H14F2N2O4S/c20-13-5-8-17(16(21)10-13)27-11-12-3-6-14(7-4-12)28(25,26)19-15(18(22)24)2-1-9-23-19/h1-10H,11H2,(H2,22,24)
InChIKeyLDVRDIRHEKVKRS-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide

2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide (PubChem CID 69404386) has the molecular formula C19H14F2N2O4S and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide
PubChem CID69404386
Molecular FormulaC19H14F2N2O4S
Molecular Weight404.39 g/mol
Exact Mass404.06
IUPAC Name2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1S(=O)(=O)c1ccc(COc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H14F2N2O4S/c20-13-5-8-17(16(21)10-13)27-11-12-3-6-14(7-4-12)28(25,26)19-15(18(22)24)2-1-9-23-19/h1-10H,11H2,(H2,22,24)
InChIKeyLDVRDIRHEKVKRS-UHFFFAOYSA-N
XLogP2.87
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide (CID 69404386) is 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide is NC(=O)c1cccnc1S(=O)(=O)c1ccc(COc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide?
The InChIKey is LDVRDIRHEKVKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O4S/c20-13-5-8-17(16(21)10-13)27-11-12-3-6-14(7-4-12)28(25,26)19-15(18(22)24)2-1-9-23-19/h1-10H,11H2,(H2,22,24).
What are the key properties of 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide?
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenoxy)methyl]phenyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 69404386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).