2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide

C23H17N3O5S2 — CID 55662957

IUPAC2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3cccc1c23
InChIInChI=1S/C23H17N3O5S2/c27-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)33(30,31)26-16-9-11-17(12-10-16)32(28,29)25-15-5-2-1-3-6-15/h1-14,25-26H,(H,24,27)
InChIKeyVUEOSHGSPHHWFI-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.01
Rot. Bonds6

About 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55662957) has the molecular formula C23H17N3O5S2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55662957
Molecular FormulaC23H17N3O5S2
Molecular Weight479.54 g/mol
Exact Mass479.06
IUPAC Name2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3cccc1c23
InChIInChI=1S/C23H17N3O5S2/c27-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)33(30,31)26-16-9-11-17(12-10-16)32(28,29)25-15-5-2-1-3-6-15/h1-14,25-26H,(H,24,27)
InChIKeyVUEOSHGSPHHWFI-UHFFFAOYSA-N
XLogP4.01
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide (CID 55662957) is 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3cccc1c23.
What is the InChIKey of 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is VUEOSHGSPHHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5S2/c27-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)33(30,31)26-16-9-11-17(12-10-16)32(28,29)25-15-5-2-1-3-6-15/h1-14,25-26H,(H,24,27).
What are the key properties of 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 479.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55662957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).