1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C20H23ClN2O4S — CID 26769570

IUPAC1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-20(2,27-16-7-5-15(21)6-8-16)19(24)23-12-11-14-13-17(9-10-18(14)23)28(25,26)22(3)4/h5-10,13H,11-12H2,1-4H3
InChIKeyQPGRGJWIJVUGCY-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 26769570) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID26769570
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-20(2,27-16-7-5-15(21)6-8-16)19(24)23-12-11-14-13-17(9-10-18(14)23)28(25,26)22(3)4/h5-10,13H,11-12H2,1-4H3
InChIKeyQPGRGJWIJVUGCY-UHFFFAOYSA-N
XLogP3.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide 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

1-[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 99999439
4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
CID 26769862
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132667023
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 30222545
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
CID 52527565
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769517
1-[1-[(2,4-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43886859
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 39641255

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 26769570) is 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QPGRGJWIJVUGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-20(2,27-16-7-5-15(21)6-8-16)19(24)23-12-11-14-13-17(9-10-18(14)23)28(25,26)22(3)4/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 422.93 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26769570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).