N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide

C25H23NO3S — CID 18465527

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CCc3ccccc32)C2CC(=O)c3ccccc32)cc1
InChIInChI=1S/C25H23NO3S/c1-17-10-13-19(14-11-17)30(28,29)26(23-15-12-18-6-2-3-7-20(18)23)24-16-25(27)22-9-5-4-8-21(22)24/h2-11,13-14,23-24H,12,15-16H2,1H3
InChIKeyXHLCARKLXUXYRP-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.00
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide (PubChem CID 18465527) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide
PubChem CID18465527
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2CCc3ccccc32)C2CC(=O)c3ccccc32)cc1
InChIInChI=1S/C25H23NO3S/c1-17-10-13-19(14-11-17)30(28,29)26(23-15-12-18-6-2-3-7-20(18)23)24-16-25(27)22-9-5-4-8-21(22)24/h2-11,13-14,23-24H,12,15-16H2,1H3
InChIKeyXHLCARKLXUXYRP-UHFFFAOYSA-N
XLogP5.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide (CID 18465527) is N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C2CCc3ccccc32)C2CC(=O)c3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide?
The InChIKey is XHLCARKLXUXYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3S/c1-17-10-13-19(14-11-17)30(28,29)26(23-15-12-18-6-2-3-7-20(18)23)24-16-25(27)22-9-5-4-8-21(22)24/h2-11,13-14,23-24H,12,15-16H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide is sourced from PubChem (CID 18465527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).