6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one

C24H18N2O3S — CID 15169659

IUPAC6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(NCc3ccc(S(=O)(=O)c4ccccc4)cc3)c3cccc1c23
InChIInChI=1S/C24H18N2O3S/c27-24-20-8-4-7-19-21(13-14-22(26-24)23(19)20)25-15-16-9-11-18(12-10-16)30(28,29)17-5-2-1-3-6-17/h1-14,25H,15H2,(H,26,27)
InChIKeyYUMFPJQRENMGEZ-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.85
Rot. Bonds5

About 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one

6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one (PubChem CID 15169659) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one
PubChem CID15169659
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(NCc3ccc(S(=O)(=O)c4ccccc4)cc3)c3cccc1c23
InChIInChI=1S/C24H18N2O3S/c27-24-20-8-4-7-19-21(13-14-22(26-24)23(19)20)25-15-16-9-11-18(12-10-16)30(28,29)17-5-2-1-3-6-17/h1-14,25H,15H2,(H,26,27)
InChIKeyYUMFPJQRENMGEZ-UHFFFAOYSA-N
XLogP4.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one (CID 15169659) is 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one is O=C1Nc2ccc(NCc3ccc(S(=O)(=O)c4ccccc4)cc3)c3cccc1c23.
What is the InChIKey of 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one?
The InChIKey is YUMFPJQRENMGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c27-24-20-8-4-7-19-21(13-14-22(26-24)23(19)20)25-15-16-9-11-18(12-10-16)30(28,29)17-5-2-1-3-6-17/h1-14,25H,15H2,(H,26,27).
What are the key properties of 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one?
6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one has a molecular weight of 414.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(benzenesulfonyl)phenyl]methylamino]-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 15169659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).