4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide

C19H21ClN2O3S — CID 2678429

IUPAC4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H21ClN2O3S/c1-3-21(4-2)26(24,25)15-9-10-17(20)16(13-15)19(23)22-12-11-14-7-5-6-8-18(14)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyYMTVLXZJSPEFCD-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.57
Rot. Bonds5

About 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide

4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide (PubChem CID 2678429) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
PubChem CID2678429
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H21ClN2O3S/c1-3-21(4-2)26(24,25)15-9-10-17(20)16(13-15)19(23)22-12-11-14-7-5-6-8-18(14)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyYMTVLXZJSPEFCD-UHFFFAOYSA-N
XLogP3.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide 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 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide (CID 2678429) is 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The InChIKey is YMTVLXZJSPEFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-3-21(4-2)26(24,25)15-9-10-17(20)16(13-15)19(23)22-12-11-14-7-5-6-8-18(14)22/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide?
4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 2678429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).