1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide

C16H23N3O3S — CID 96513729

IUPAC1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CN(C)C[C@@H]3C)ccc21
InChIInChI=1S/C16H23N3O3S/c1-11-9-18(3)10-15(11)17-23(21,22)14-4-5-16-13(8-14)6-7-19(16)12(2)20/h4-5,8,11,15,17H,6-7,9-10H2,1-3H3/t11-,15-/m0/s1
InChIKeyLPGUKQDSTGJXOX-NHYWBVRUSA-N
MW337.45 g/mol
LogP0.82
Rot. Bonds3

About 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 96513729) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
PubChem CID96513729
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CN(C)C[C@@H]3C)ccc21
InChIInChI=1S/C16H23N3O3S/c1-11-9-18(3)10-15(11)17-23(21,22)14-4-5-16-13(8-14)6-7-19(16)12(2)20/h4-5,8,11,15,17H,6-7,9-10H2,1-3H3/t11-,15-/m0/s1
InChIKeyLPGUKQDSTGJXOX-NHYWBVRUSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-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-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide
CID 110868865
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-acetyl-2,3-dihydroindole-5-sulfonamide
CID 17487399
1-acetyl-N-[(3R)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830687
1-acetyl-N-[(3S)-2-oxothiolan-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 40830688
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-(cyclobutanecarbonyl)-N-(2-methylcyclohexyl)-2,3-dihydroindole-5-sulfonamide
CID 20853272
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
1-acetyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 3240386

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide (CID 96513729) is 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CN(C)C[C@@H]3C)ccc21.
What is the InChIKey of 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LPGUKQDSTGJXOX-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11-9-18(3)10-15(11)17-23(21,22)14-4-5-16-13(8-14)6-7-19(16)12(2)20/h4-5,8,11,15,17H,6-7,9-10H2,1-3H3/t11-,15-/m0/s1.
What are the key properties of 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 96513729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).