2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide

C18H15F2N3O3S — CID 67819553

IUPAC2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(F)ccc2F)nc(-c2ccccn2)c1
InChIInChI=1S/C18H15F2N3O3S/c1-26-14-9-13(23-17(10-14)16-4-2-3-7-21-16)11-22-27(24,25)18-8-12(19)5-6-15(18)20/h2-10,22H,11H2,1H3
InChIKeyAGKULAFOCAOAOO-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.91
Rot. Bonds6

About 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide

2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 67819553) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID67819553
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC Name2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(F)ccc2F)nc(-c2ccccn2)c1
InChIInChI=1S/C18H15F2N3O3S/c1-26-14-9-13(23-17(10-14)16-4-2-3-7-21-16)11-22-27(24,25)18-8-12(19)5-6-15(18)20/h2-10,22H,11H2,1H3
InChIKeyAGKULAFOCAOAOO-UHFFFAOYSA-N
XLogP2.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
CID 67819577
N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide
CID 67819520
3-chloro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]propane-1-sulfonamide;(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine
CID 158578278
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 122252830
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide
CID 67819598
2,5-difluoro-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 90569769
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317993

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide (CID 67819553) is 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide is COc1cc(CNS(=O)(=O)c2cc(F)ccc2F)nc(-c2ccccn2)c1.
What is the InChIKey of 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is AGKULAFOCAOAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-26-14-9-13(23-17(10-14)16-4-2-3-7-21-16)11-22-27(24,25)18-8-12(19)5-6-15(18)20/h2-10,22H,11H2,1H3.
What are the key properties of 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 67819553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).