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

C15H16N2O3S — CID 15944463

IUPACN,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC
InChIInChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3
InChIKeyAQNBGQLJCYVCBR-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.12
Rot. Bonds4

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

N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 15944463) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID15944463
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC
InChIInChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3
InChIKeyAQNBGQLJCYVCBR-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 15944463) is N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide is CCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC.
What is the InChIKey of N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is AQNBGQLJCYVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3.
What are the key properties of N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15944463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).