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

C24H23NO6S — CID 123383523

IUPACN-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cccc3c2CCC3=O)c(OCNS(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C24H23NO6S/c1-29-22-14-12-20(17-9-6-10-19-18(17)11-13-21(19)26)23(24(22)30-2)31-15-25-32(27,28)16-7-4-3-5-8-16/h3-10,12,14,25H,11,13,15H2,1-2H3
InChIKeyIGAXAYNYCDSLFC-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.81
Rot. Bonds8

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

N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide (PubChem CID 123383523) has the molecular formula C24H23NO6S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide
PubChem CID123383523
Molecular FormulaC24H23NO6S
Molecular Weight453.52 g/mol
Exact Mass453.12
IUPAC NameN-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cccc3c2CCC3=O)c(OCNS(=O)(=O)c2ccccc2)c1OC
InChIInChI=1S/C24H23NO6S/c1-29-22-14-12-20(17-9-6-10-19-18(17)11-13-21(19)26)23(24(22)30-2)31-15-25-32(27,28)16-7-4-3-5-8-16/h3-10,12,14,25H,11,13,15H2,1-2H3
InChIKeyIGAXAYNYCDSLFC-UHFFFAOYSA-N
XLogP3.81
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide?
The IUPAC name of N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide (CID 123383523) is N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide?
The canonical SMILES for N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide is COc1ccc(-c2cccc3c2CCC3=O)c(OCNS(=O)(=O)c2ccccc2)c1OC.
What is the InChIKey of N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide?
The InChIKey is IGAXAYNYCDSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6S/c1-29-22-14-12-20(17-9-6-10-19-18(17)11-13-21(19)26)23(24(22)30-2)31-15-25-32(27,28)16-7-4-3-5-8-16/h3-10,12,14,25H,11,13,15H2,1-2H3.
What are the key properties of N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide?
N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]methyl]benzenesulfonamide is sourced from PubChem (CID 123383523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).