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

C12H10N2O3S — CID 812408

IUPACN-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C12H10N2O3S/c1-13-18(16,17)10-6-5-9-11-7(10)3-2-4-8(11)12(15)14-9/h2-6,13H,1H3,(H,14,15)
InChIKeyWEHXFVLLFFYCDF-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.31
Rot. Bonds2

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

N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 812408) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID812408
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C12H10N2O3S/c1-13-18(16,17)10-6-5-9-11-7(10)3-2-4-8(11)12(15)14-9/h2-6,13H,1H3,(H,14,15)
InChIKeyWEHXFVLLFFYCDF-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 812408) is N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide is CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is WEHXFVLLFFYCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-13-18(16,17)10-6-5-9-11-7(10)3-2-4-8(11)12(15)14-9/h2-6,13H,1H3,(H,14,15).
What are the key properties of N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 262.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 812408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).