1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide

C18H19F2N3O3S — CID 154754983

IUPAC1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(F)(F)c1ncccc1C)CC2
InChIInChI=1S/C18H19F2N3O3S/c1-3-22-27(25,26)14-7-6-13-8-10-23(15(13)11-14)17(24)18(19,20)16-12(2)5-4-9-21-16/h4-7,9,11,22H,3,8,10H2,1-2H3
InChIKeyTTWQYYSUOVHIIY-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.37
Rot. Bonds5

About 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide

1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 154754983) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
PubChem CID154754983
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(F)(F)c1ncccc1C)CC2
InChIInChI=1S/C18H19F2N3O3S/c1-3-22-27(25,26)14-7-6-13-8-10-23(15(13)11-14)17(24)18(19,20)16-12(2)5-4-9-21-16/h4-7,9,11,22H,3,8,10H2,1-2H3
InChIKeyTTWQYYSUOVHIIY-UHFFFAOYSA-N
XLogP2.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-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

2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid
CID 146134632
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
CID 119802333
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861
5-(ethylsulfamoyl)-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 35033520
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide
CID 71996117
3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 19257849
N-quinolin-5-yl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 3850952
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
5-[(2,6-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058911
3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102553
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide (CID 154754983) is 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(F)(F)c1ncccc1C)CC2.
What is the InChIKey of 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is TTWQYYSUOVHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c1-3-22-27(25,26)14-7-6-13-8-10-23(15(13)11-14)17(24)18(19,20)16-12(2)5-4-9-21-16/h4-7,9,11,22H,3,8,10H2,1-2H3.
What are the key properties of 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide?
1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 395.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 154754983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).