N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide

C18H20ClN3O3S — CID 3586597

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCc3ccccc32)ccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-21(2)26(24,25)17-11-14(7-8-15(17)19)20-18(23)12-22-10-9-13-5-3-4-6-16(13)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyHUFUOZVFTVNIOT-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.59
Rot. Bonds5

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide (PubChem CID 3586597) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
PubChem CID3586597
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CN2CCc3ccccc32)ccc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-21(2)26(24,25)17-11-14(7-8-15(17)19)20-18(23)12-22-10-9-13-5-3-4-6-16(13)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyHUFUOZVFTVNIOT-UHFFFAOYSA-N
XLogP2.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide 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-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide (CID 3586597) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCc3ccccc32)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide?
The InChIKey is HUFUOZVFTVNIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-21(2)26(24,25)17-11-14(7-8-15(17)19)20-18(23)12-22-10-9-13-5-3-4-6-16(13)22/h3-8,11H,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide has a molecular weight of 393.90 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 3586597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).