N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C13H12N2O3S — CID 755374

IUPACN-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C13H12N2O3S/c1-2-14-19(17,18)11-7-6-10-12-8(11)4-3-5-9(12)13(16)15-10/h3-7,14H,2H2,1H3,(H,15,16)
InChIKeyUENVRNYPJXPIRK-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.70
Rot. Bonds3

About N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 755374) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID755374
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C13H12N2O3S/c1-2-14-19(17,18)11-7-6-10-12-8(11)4-3-5-9(12)13(16)15-10/h3-7,14H,2H2,1H3,(H,15,16)
InChIKeyUENVRNYPJXPIRK-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 755374) is N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide is CCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is UENVRNYPJXPIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-14-19(17,18)11-7-6-10-12-8(11)4-3-5-9(12)13(16)15-10/h3-7,14H,2H2,1H3,(H,15,16).
What are the key properties of N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 755374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).