2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine

C28H22N2O3S — CID 70054414

IUPAC2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccccc2)c2ccc(-c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C28H22N2O3S/c29-16-15-20-18-30(34(31,32)21-7-2-1-3-8-21)26-14-13-19(17-25(20)26)22-10-6-11-24-23-9-4-5-12-27(23)33-28(22)24/h1-14,17-18H,15-16,29H2
InChIKeyBBNVFZRLLQFKTF-UHFFFAOYSA-N
MW466.56 g/mol
LogP5.95
Rot. Bonds5

About 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine

2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine (PubChem CID 70054414) has the molecular formula C28H22N2O3S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine
PubChem CID70054414
Molecular FormulaC28H22N2O3S
Molecular Weight466.56 g/mol
Exact Mass466.14
IUPAC Name2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccccc2)c2ccc(-c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C28H22N2O3S/c29-16-15-20-18-30(34(31,32)21-7-2-1-3-8-21)26-14-13-19(17-25(20)26)22-10-6-11-24-23-9-4-5-12-27(23)33-28(22)24/h1-14,17-18H,15-16,29H2
InChIKeyBBNVFZRLLQFKTF-UHFFFAOYSA-N
XLogP5.95
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine 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

3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide
CID 70052793
2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride
CID 70053279
2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzonitrile;hydrochloride
CID 70053840
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
CID 87156847
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
5-dibenzofuran-4-yl-9-phenyl-14-oxa-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-15-one
CID 118248522
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine (CID 70054414) is 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2ccccc2)c2ccc(-c3cccc4c3oc3ccccc34)cc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine?
The InChIKey is BBNVFZRLLQFKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3S/c29-16-15-20-18-30(34(31,32)21-7-2-1-3-8-21)26-14-13-19(17-25(20)26)22-10-6-11-24-23-9-4-5-12-27(23)33-28(22)24/h1-14,17-18H,15-16,29H2.
What are the key properties of 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine?
2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine has a molecular weight of 466.56 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine is sourced from PubChem (CID 70054414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).