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

C25H23NO3S — CID 18465521

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2Cc3ccccc3C2)C2CC(=O)c3ccccc32)cc1
InChIInChI=1S/C25H23NO3S/c1-17-10-12-21(13-11-17)30(28,29)26(20-14-18-6-2-3-7-19(18)15-20)24-16-25(27)23-9-5-4-8-22(23)24/h2-13,20,24H,14-16H2,1H3
InChIKeyGEUWIKGRNWNZDT-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.48
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide (PubChem CID 18465521) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide
PubChem CID18465521
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2Cc3ccccc3C2)C2CC(=O)c3ccccc32)cc1
InChIInChI=1S/C25H23NO3S/c1-17-10-12-21(13-11-17)30(28,29)26(20-14-18-6-2-3-7-19(18)15-20)24-16-25(27)23-9-5-4-8-22(23)24/h2-13,20,24H,14-16H2,1H3
InChIKeyGEUWIKGRNWNZDT-UHFFFAOYSA-N
XLogP4.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.48
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-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide (CID 18465521) is N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C2Cc3ccccc3C2)C2CC(=O)c3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide?
The InChIKey is GEUWIKGRNWNZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3S/c1-17-10-12-21(13-11-17)30(28,29)26(20-14-18-6-2-3-7-19(18)15-20)24-16-25(27)23-9-5-4-8-22(23)24/h2-13,20,24H,14-16H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide?
N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 4.48, 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-2-yl)-4-methyl-N-(3-oxo-1,2-dihydroinden-1-yl)benzenesulfonamide is sourced from PubChem (CID 18465521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).