7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione

C24H15N3O4S — CID 100963604

IUPAC7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione
SMILESO=C1c2ccn(S(=O)(=O)c3ccccc3)c2C(=O)c2[nH]cc(-c3c[nH]c4ccccc34)c21
InChIInChI=1S/C24H15N3O4S/c28-23-16-10-11-27(32(30,31)14-6-2-1-3-7-14)22(16)24(29)21-20(23)18(13-26-21)17-12-25-19-9-5-4-8-15(17)19/h1-13,25-26H
InChIKeyNCXYJRIJZMGWPZ-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.98
Rot. Bonds3

About 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione

7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione (PubChem CID 100963604) has the molecular formula C24H15N3O4S and a molecular weight of 441.47 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione.

Molecular Properties

Compound Name7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione
PubChem CID100963604
Molecular FormulaC24H15N3O4S
Molecular Weight441.47 g/mol
Exact Mass441.08
IUPAC Name7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione
SMILESO=C1c2ccn(S(=O)(=O)c3ccccc3)c2C(=O)c2[nH]cc(-c3c[nH]c4ccccc34)c21
InChIInChI=1S/C24H15N3O4S/c28-23-16-10-11-27(32(30,31)14-6-2-1-3-7-14)22(16)24(29)21-20(23)18(13-26-21)17-12-25-19-9-5-4-8-15(17)19/h1-13,25-26H
InChIKeyNCXYJRIJZMGWPZ-UHFFFAOYSA-N
XLogP3.98
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

dimethyl 3-[1-(benzenesulfonyl)indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
CID 102167878
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
CID 127051436
1-(benzenesulfonyl)-3-bromoindole;1-(benzenesulfonyl)-3-phenylindole;oxolane;phenylboronic acid;3-phenyl-1H-indole
CID 159632535
methane;3-phenyl-1H-indole
CID 167711687
6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione
CID 102126486
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
6-(benzenesulfonyl)furo[2,3-e]indol-3-one
CID 142413177
[2-(1H-indol-3-yl)phenyl]methanesulfonamide
CID 143410357
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
2-(1H-indol-3-yl)aniline
CID 25210227

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione?
The IUPAC name of 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione (CID 100963604) is 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione.
What is the SMILES notation for 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione?
The canonical SMILES for 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione is O=C1c2ccn(S(=O)(=O)c3ccccc3)c2C(=O)c2[nH]cc(-c3c[nH]c4ccccc34)c21.
What is the InChIKey of 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione?
The InChIKey is NCXYJRIJZMGWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O4S/c28-23-16-10-11-27(32(30,31)14-6-2-1-3-7-14)22(16)24(29)21-20(23)18(13-26-21)17-12-25-19-9-5-4-8-15(17)19/h1-13,25-26H.
What are the key properties of 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione?
7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione has a molecular weight of 441.47 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-3-(1H-indol-3-yl)-1H-pyrrolo[3,2-f]indole-4,8-dione is sourced from PubChem (CID 100963604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).