3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide

C17H19F2NO3S — CID 35391890

IUPAC3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO3S/c1-12(2)23-11-14-6-4-3-5-13(14)10-20-24(21,22)15-7-8-16(18)17(19)9-15/h3-9,12,20H,10-11H2,1-2H3
InChIKeyPMUYCVOTCAZUOA-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.37
Rot. Bonds7

About 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide

3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 35391890) has the molecular formula C17H19F2NO3S and a molecular weight of 355.41 g/mol. Its IUPAC name is 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID35391890
Molecular FormulaC17H19F2NO3S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO3S/c1-12(2)23-11-14-6-4-3-5-13(14)10-20-24(21,22)15-7-8-16(18)17(19)9-15/h3-9,12,20H,10-11H2,1-2H3
InChIKeyPMUYCVOTCAZUOA-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide (CID 35391890) is 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide is CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PMUYCVOTCAZUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3S/c1-12(2)23-11-14-6-4-3-5-13(14)10-20-24(21,22)15-7-8-16(18)17(19)9-15/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide?
3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 355.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 35391890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).