N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide

C23H19BrCl2N2O3S — CID 100791664

IUPACN-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2cc(Br)ccc21
InChIInChI=1S/C23H19BrCl2N2O3S/c24-18-6-9-21-17(12-18)10-11-28(21)23(29)15-27(14-16-4-2-1-3-5-16)32(30,31)22-13-19(25)7-8-20(22)26/h1-9,12-13H,10-11,14-15H2
InChIKeyAAPJCPDOHUVEET-UHFFFAOYSA-N
MW554.29 g/mol
LogP5.54
Rot. Bonds6

About N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide

N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 100791664) has the molecular formula C23H19BrCl2N2O3S and a molecular weight of 554.29 g/mol. Its IUPAC name is N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide
PubChem CID100791664
Molecular FormulaC23H19BrCl2N2O3S
Molecular Weight554.29 g/mol
Exact Mass551.97
IUPAC NameN-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2cc(Br)ccc21
InChIInChI=1S/C23H19BrCl2N2O3S/c24-18-6-9-21-17(12-18)10-11-28(21)23(29)15-27(14-16-4-2-1-3-5-16)32(30,31)22-13-19(25)7-8-20(22)26/h1-9,12-13H,10-11,14-15H2
InChIKeyAAPJCPDOHUVEET-UHFFFAOYSA-N
XLogP5.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.29
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide 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-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide (CID 100791664) is N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2cc(Br)ccc21.
What is the InChIKey of N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is AAPJCPDOHUVEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrCl2N2O3S/c24-18-6-9-21-17(12-18)10-11-28(21)23(29)15-27(14-16-4-2-1-3-5-16)32(30,31)22-13-19(25)7-8-20(22)26/h1-9,12-13H,10-11,14-15H2.
What are the key properties of N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide?
N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 554.29 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 100791664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).