N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide

C17H14N2O4S — CID 2234049

IUPACN-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23
InChIInChI=1S/C17H14N2O4S/c1-19-14-7-8-15(12-5-2-6-13(16(12)14)17(19)20)24(21,22)18-10-11-4-3-9-23-11/h2-9,18H,10H2,1H3
InChIKeyGDMPHCZZRWOZAF-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.50
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide

N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 2234049) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID2234049
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23
InChIInChI=1S/C17H14N2O4S/c1-19-14-7-8-15(12-5-2-6-13(16(12)14)17(19)20)24(21,22)18-10-11-4-3-9-23-11/h2-9,18H,10H2,1H3
InChIKeyGDMPHCZZRWOZAF-UHFFFAOYSA-N
XLogP2.50
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-1-methyl-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-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 2234049) is N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is CN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is GDMPHCZZRWOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-19-14-7-8-15(12-5-2-6-13(16(12)14)17(19)20)24(21,22)18-10-11-4-3-9-23-11/h2-9,18H,10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 342.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 2234049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).