N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide

C23H24N2O2S — CID 112989587

IUPACN-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide
SMILESCC1Cc2ccccc2N1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-18-17-20-9-5-6-10-23(20)25(18)22-13-11-21(12-14-22)24-28(26,27)16-15-19-7-3-2-4-8-19/h2-14,18,24H,15-17H2,1H3
InChIKeyPLBIWJDDTFKALJ-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.75
Rot. Bonds6

About N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide

N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide (PubChem CID 112989587) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide
PubChem CID112989587
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide
SMILESCC1Cc2ccccc2N1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-18-17-20-9-5-6-10-23(20)25(18)22-13-11-21(12-14-22)24-28(26,27)16-15-19-7-3-2-4-8-19/h2-14,18,24H,15-17H2,1H3
InChIKeyPLBIWJDDTFKALJ-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide (CID 112989587) is N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide is CC1Cc2ccccc2N1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is PLBIWJDDTFKALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-18-17-20-9-5-6-10-23(20)25(18)22-13-11-21(12-14-22)24-28(26,27)16-15-19-7-3-2-4-8-19/h2-14,18,24H,15-17H2,1H3.
What are the key properties of N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide?
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 112989587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).