3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione

C22H17N3O4S — CID 22432827

IUPAC3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione
SMILESO=c1[nH]n(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(=O)c2ccccc12
InChIInChI=1S/C22H17N3O4S/c26-21-18-6-2-3-7-19(18)22(27)25(23-21)16-9-11-17(12-10-16)30(28,29)24-14-13-15-5-1-4-8-20(15)24/h1-12H,13-14H2,(H,23,26)
InChIKeyTYQCLEXLJHFOEG-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.43
Rot. Bonds3

About 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione

3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione (PubChem CID 22432827) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione
PubChem CID22432827
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC Name3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione
SMILESO=c1[nH]n(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(=O)c2ccccc12
InChIInChI=1S/C22H17N3O4S/c26-21-18-6-2-3-7-19(18)22(27)25(23-21)16-9-11-17(12-10-16)30(28,29)24-14-13-15-5-1-4-8-20(15)24/h1-12H,13-14H2,(H,23,26)
InChIKeyTYQCLEXLJHFOEG-UHFFFAOYSA-N
XLogP2.43
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione 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-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694479
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine
CID 4512362
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
4-amino-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329693
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one
CID 46270700
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione?
The IUPAC name of 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione (CID 22432827) is 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione is O=c1[nH]n(-c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(=O)c2ccccc12.
What is the InChIKey of 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione?
The InChIKey is TYQCLEXLJHFOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c26-21-18-6-2-3-7-19(18)22(27)25(23-21)16-9-11-17(12-10-16)30(28,29)24-14-13-15-5-1-4-8-20(15)24/h1-12H,13-14H2,(H,23,26).
What are the key properties of 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione?
3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione has a molecular weight of 419.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione is sourced from PubChem (CID 22432827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).