2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide

C23H24F2N2O3S — CID 42276973

IUPAC2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCC(C)COc1ccc(CN(Cc2ccncc2)S(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H24F2N2O3S/c1-17(2)16-30-21-6-3-18(4-7-21)14-27(15-19-9-11-26-12-10-19)31(28,29)23-8-5-20(24)13-22(23)25/h3-13,17H,14-16H2,1-2H3
InChIKeyRWVBBRPYWDKZHZ-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.79
Rot. Bonds9

About 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide

2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 42276973) has the molecular formula C23H24F2N2O3S and a molecular weight of 446.52 g/mol. Its IUPAC name is 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID42276973
Molecular FormulaC23H24F2N2O3S
Molecular Weight446.52 g/mol
Exact Mass446.15
IUPAC Name2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCC(C)COc1ccc(CN(Cc2ccncc2)S(=O)(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H24F2N2O3S/c1-17(2)16-30-21-6-3-18(4-7-21)14-27(15-19-9-11-26-12-10-19)31(28,29)23-8-5-20(24)13-22(23)25/h3-13,17H,14-16H2,1-2H3
InChIKeyRWVBBRPYWDKZHZ-UHFFFAOYSA-N
XLogP4.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 42276973) is 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide is CC(C)COc1ccc(CN(Cc2ccncc2)S(=O)(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is RWVBBRPYWDKZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O3S/c1-17(2)16-30-21-6-3-18(4-7-21)14-27(15-19-9-11-26-12-10-19)31(28,29)23-8-5-20(24)13-22(23)25/h3-13,17H,14-16H2,1-2H3.
What are the key properties of 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 446.52 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 42276973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).