N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide

C25H24N2O2S — CID 122400482

IUPACN-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide
SMILESCC1=Nc2ccccc2[C@@]1(C)C/C=C/N(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H24N2O2S/c1-20-25(2,23-16-9-10-17-24(23)26-20)18-11-19-27(21-12-5-3-6-13-21)30(28,29)22-14-7-4-8-15-22/h3-17,19H,18H2,1-2H3/b19-11+/t25-/m0/s1
InChIKeyPZYAOJUSJQZWPO-KDDABKDRSA-N
MW416.55 g/mol
LogP5.85
Rot. Bonds6

About N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide

N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide (PubChem CID 122400482) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide
PubChem CID122400482
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide
SMILESCC1=Nc2ccccc2[C@@]1(C)C/C=C/N(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H24N2O2S/c1-20-25(2,23-16-9-10-17-24(23)26-20)18-11-19-27(21-12-5-3-6-13-21)30(28,29)22-14-7-4-8-15-22/h3-17,19H,18H2,1-2H3/b19-11+/t25-/m0/s1
InChIKeyPZYAOJUSJQZWPO-KDDABKDRSA-N
XLogP5.85
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide (CID 122400482) is N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide is CC1=Nc2ccccc2[C@@]1(C)C/C=C/N(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide?
The InChIKey is PZYAOJUSJQZWPO-KDDABKDRSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-20-25(2,23-16-9-10-17-24(23)26-20)18-11-19-27(21-12-5-3-6-13-21)30(28,29)22-14-7-4-8-15-22/h3-17,19H,18H2,1-2H3/b19-11+/t25-/m0/s1.
What are the key properties of N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide?
N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide has a molecular weight of 416.55 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 122400482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).