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

C19H16N2O3S — CID 1358127

IUPACN-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C19H16N2O3S/c1-21(12-13-6-3-2-4-7-13)25(23,24)17-11-10-16-18-14(17)8-5-9-15(18)19(22)20-16/h2-11H,12H2,1H3,(H,20,22)
InChIKeyJIXJHHLWBLVHSE-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.23
Rot. Bonds4

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

N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 1358127) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID1358127
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C19H16N2O3S/c1-21(12-13-6-3-2-4-7-13)25(23,24)17-11-10-16-18-14(17)8-5-9-15(18)19(22)20-16/h2-11H,12H2,1H3,(H,20,22)
InChIKeyJIXJHHLWBLVHSE-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-methyl-2-oxo-1H-benzo[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

Related Compounds

N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 131939267
N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
CID 10215206
N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide
CID 19914607
6-phenyl-1H-benzo[cd]indol-2-one
CID 165358771
N-benzyl-9-chloro-N,3-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812508
N-benzyl-N,2-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812342
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one
CID 15169663
5-(4-methylphenyl)sulfonyl-1H-benzo[cd]indol-2-one
CID 22759555
6-N,8-N-dimethyl-2-oxo-6-N,8-N-diphenyl-1H-benzo[cd]indole-6,8-disulfonamide
CID 1280459
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55895798
6-iodo-1H-benzo[cd]indol-2-one
CID 626440

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 1358127) is N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is JIXJHHLWBLVHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-21(12-13-6-3-2-4-7-13)25(23,24)17-11-10-16-18-14(17)8-5-9-15(18)19(22)20-16/h2-11H,12H2,1H3,(H,20,22).
What are the key properties of N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1358127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).