1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one

C17H24N2O3S — CID 4198453

IUPAC1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C17H24N2O3S/c1-2-17(20)19-12-9-14-13-15(7-8-16(14)19)23(21,22)18-10-5-3-4-6-11-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyZIZMJMANHALWOH-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.55
Rot. Bonds3

About 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one

1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 4198453) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID4198453
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C17H24N2O3S/c1-2-17(20)19-12-9-14-13-15(7-8-16(14)19)23(21,22)18-10-5-3-4-6-11-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyZIZMJMANHALWOH-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one 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-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
1-acetyl-6-(2,3-dihydro-1H-indol-1-ylsulfonyl)indoline
CID 2940687
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
1-{5-[(2-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
CID 3597234
1-(2-Methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 3673453
5-(Azepan-1-ylsulfonyl)-3-methyl-1,3-dihydroindol-2-one
CID 16310991
N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614339

Frequently Asked Questions

What is the IUPAC name of 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one (CID 4198453) is 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCCC3)ccc21.
What is the InChIKey of 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is ZIZMJMANHALWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-17(20)19-12-9-14-13-15(7-8-16(14)19)23(21,22)18-10-5-3-4-6-11-18/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one?
1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 336.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 4198453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).