1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide

C21H24N4O4S — CID 18286340

IUPAC1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N4O4S/c22-30(28,29)18-6-7-19-17(14-18)8-9-25(19)20(26)15-23-10-12-24(13-11-23)21(27)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H2,22,28,29)
InChIKeyFIBBRLVQRHAHSY-UHFFFAOYSA-N
MW428.51 g/mol
LogP0.68
Rot. Bonds4

About 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 18286340) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID18286340
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N4O4S/c22-30(28,29)18-6-7-19-17(14-18)8-9-25(19)20(26)15-23-10-12-24(13-11-23)21(27)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H2,22,28,29)
InChIKeyFIBBRLVQRHAHSY-UHFFFAOYSA-N
XLogP0.68
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-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-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55478576
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 16576239
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 31539906
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35171895
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 18286340) is 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FIBBRLVQRHAHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c22-30(28,29)18-6-7-19-17(14-18)8-9-25(19)20(26)15-23-10-12-24(13-11-23)21(27)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H2,22,28,29).
What are the key properties of 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 18286340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).