N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C17H10Cl2N2O3S — CID 5189210

IUPACN-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c3cccc1c23
InChIInChI=1S/C17H10Cl2N2O3S/c18-9-4-5-12(19)14(8-9)21-25(23,24)15-7-6-13-16-10(15)2-1-3-11(16)17(22)20-13/h1-8,21H,(H,20,22)
InChIKeyISJCFPXBLGEWLO-UHFFFAOYSA-N
MW393.25 g/mol
LogP4.51
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 5189210) has the molecular formula C17H10Cl2N2O3S and a molecular weight of 393.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID5189210
Molecular FormulaC17H10Cl2N2O3S
Molecular Weight393.25 g/mol
Exact Mass391.98
IUPAC NameN-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c3cccc1c23
InChIInChI=1S/C17H10Cl2N2O3S/c18-9-4-5-12(19)14(8-9)21-25(23,24)15-7-6-13-16-10(15)2-1-3-11(16)17(22)20-13/h1-8,21H,(H,20,22)
InChIKeyISJCFPXBLGEWLO-UHFFFAOYSA-N
XLogP4.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 5189210) is N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c3cccc1c23.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is ISJCFPXBLGEWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O3S/c18-9-4-5-12(19)14(8-9)21-25(23,24)15-7-6-13-16-10(15)2-1-3-11(16)17(22)20-13/h1-8,21H,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 393.25 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 5189210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).