N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide

C13H12N2O3S — CID 1094896

IUPACN,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C
InChIInChI=1S/C13H12N2O3S/c1-14-19(17,18)11-7-6-10-12-8(11)4-3-5-9(12)13(16)15(10)2/h3-7,14H,1-2H3
InChIKeyTZLMKXWUDRPEEW-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.34
Rot. Bonds2

About N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide

N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1094896) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1094896
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C
InChIInChI=1S/C13H12N2O3S/c1-14-19(17,18)11-7-6-10-12-8(11)4-3-5-9(12)13(16)15(10)2/h3-7,14H,1-2H3
InChIKeyTZLMKXWUDRPEEW-UHFFFAOYSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 1094896) is N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide is CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C.
What is the InChIKey of N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is TZLMKXWUDRPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-14-19(17,18)11-7-6-10-12-8(11)4-3-5-9(12)13(16)15(10)2/h3-7,14H,1-2H3.
What are the key properties of N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1094896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).