4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide

C24H21F2NO6S — CID 54578034

IUPAC4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cccc3c2CCC3=O)c(OCc2ccc(S(N)(=O)=O)cc2)c1OC(F)F
InChIInChI=1S/C24H21F2NO6S/c1-31-21-12-10-19(16-3-2-4-18-17(16)9-11-20(18)28)22(23(21)33-24(25)26)32-13-14-5-7-15(8-6-14)34(27,29)30/h2-8,10,12,24H,9,11,13H2,1H3,(H2,27,29,30)
InChIKeyKDROIEZJONPDGY-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.32
Rot. Bonds8

About 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide

4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide (PubChem CID 54578034) has the molecular formula C24H21F2NO6S and a molecular weight of 489.50 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide
PubChem CID54578034
Molecular FormulaC24H21F2NO6S
Molecular Weight489.50 g/mol
Exact Mass489.11
IUPAC Name4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cccc3c2CCC3=O)c(OCc2ccc(S(N)(=O)=O)cc2)c1OC(F)F
InChIInChI=1S/C24H21F2NO6S/c1-31-21-12-10-19(16-3-2-4-18-17(16)9-11-20(18)28)22(23(21)33-24(25)26)32-13-14-5-7-15(8-6-14)34(27,29)30/h2-8,10,12,24H,9,11,13H2,1H3,(H2,27,29,30)
InChIKeyKDROIEZJONPDGY-UHFFFAOYSA-N
XLogP4.32
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide?
The IUPAC name of 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide (CID 54578034) is 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide is COc1ccc(-c2cccc3c2CCC3=O)c(OCc2ccc(S(N)(=O)=O)cc2)c1OC(F)F.
What is the InChIKey of 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide?
The InChIKey is KDROIEZJONPDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO6S/c1-31-21-12-10-19(16-3-2-4-18-17(16)9-11-20(18)28)22(23(21)33-24(25)26)32-13-14-5-7-15(8-6-14)34(27,29)30/h2-8,10,12,24H,9,11,13H2,1H3,(H2,27,29,30).
What are the key properties of 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide?
4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide has a molecular weight of 489.50 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide is sourced from PubChem (CID 54578034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).