1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide

C16H14Cl2N2O3S2 — CID 24526881

IUPAC1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O3S2/c17-11-1-3-13(18)15(8-11)24-9-16(21)20-6-5-10-7-12(25(19,22)23)2-4-14(10)20/h1-4,7-8H,5-6,9H2,(H2,19,22,23)
InChIKeyALIPLWDIJKWNQY-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 24526881) has the molecular formula C16H14Cl2N2O3S2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID24526881
Molecular FormulaC16H14Cl2N2O3S2
Molecular Weight417.34 g/mol
Exact Mass415.98
IUPAC Name1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O3S2/c17-11-1-3-13(18)15(8-11)24-9-16(21)20-6-5-10-7-12(25(19,22)23)2-4-14(10)20/h1-4,7-8H,5-6,9H2,(H2,19,22,23)
InChIKeyALIPLWDIJKWNQY-UHFFFAOYSA-N
XLogP3.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-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

2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55873557
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973571
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26967754
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698896
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide (CID 24526881) is 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ALIPLWDIJKWNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S2/c17-11-1-3-13(18)15(8-11)24-9-16(21)20-6-5-10-7-12(25(19,22)23)2-4-14(10)20/h1-4,7-8H,5-6,9H2,(H2,19,22,23).
What are the key properties of 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 417.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 24526881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).