4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide

C19H23N3O5S2 — CID 30273158

IUPAC4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S2/c1-20(2)29(26,27)17-10-8-16(9-11-17)22(28(3,24)25)14-19(23)21-13-12-15-6-4-5-7-18(15)21/h4-11H,12-14H2,1-3H3
InChIKeyUOGAJVJVAZLAQC-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.29
Rot. Bonds6

About 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide

4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 30273158) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID30273158
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O5S2/c1-20(2)29(26,27)17-10-8-16(9-11-17)22(28(3,24)25)14-19(23)21-13-12-15-6-4-5-7-18(15)21/h4-11H,12-14H2,1-3H3
InChIKeyUOGAJVJVAZLAQC-UHFFFAOYSA-N
XLogP1.29
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892143
N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145428
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2412874
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30273145
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892289
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N,N-dimethylacetamide
CID 30256478
1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43898779
1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 30222545
1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43893462
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
CID 113153451
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide (CID 30273158) is 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UOGAJVJVAZLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-20(2)29(26,27)17-10-8-16(9-11-17)22(28(3,24)25)14-19(23)21-13-12-15-6-4-5-7-18(15)21/h4-11H,12-14H2,1-3H3.
What are the key properties of 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide?
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 437.54 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 30273158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).