6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one

C25H20N2O4S — CID 15169681

IUPAC6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one
SMILESCN(Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C25H20N2O4S/c1-27(23-14-13-22-24-20(23)3-2-4-21(24)25(29)26-22)15-16-5-9-18(10-6-16)32(30,31)19-11-7-17(28)8-12-19/h2-14,28H,15H2,1H3,(H,26,29)
InChIKeySGIXIVWJEJURJH-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.58
Rot. Bonds5

About 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one

6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one (PubChem CID 15169681) has the molecular formula C25H20N2O4S and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one
PubChem CID15169681
Molecular FormulaC25H20N2O4S
Molecular Weight444.51 g/mol
Exact Mass444.11
IUPAC Name6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one
SMILESCN(Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C25H20N2O4S/c1-27(23-14-13-22-24-20(23)3-2-4-21(24)25(29)26-22)15-16-5-9-18(10-6-16)32(30,31)19-11-7-17(28)8-12-19/h2-14,28H,15H2,1H3,(H,26,29)
InChIKeySGIXIVWJEJURJH-UHFFFAOYSA-N
XLogP4.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one (CID 15169681) is 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one is CN(Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one?
The InChIKey is SGIXIVWJEJURJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4S/c1-27(23-14-13-22-24-20(23)3-2-4-21(24)25(29)26-22)15-16-5-9-18(10-6-16)32(30,31)19-11-7-17(28)8-12-19/h2-14,28H,15H2,1H3,(H,26,29).
What are the key properties of 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one?
6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one has a molecular weight of 444.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 15169681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).