N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C21H15N3O3S — CID 166179424

IUPACN-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCc1nc2ccccc2cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C21H15N3O3S/c1-12-18(11-13-5-2-3-8-16(13)22-12)24-28(26,27)19-10-9-17-20-14(19)6-4-7-15(20)21(25)23-17/h2-11,24H,1H3,(H,23,25)
InChIKeyKBIFBCNCQKDCKI-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.06
Rot. Bonds3

About N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 166179424) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID166179424
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC NameN-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCc1nc2ccccc2cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C21H15N3O3S/c1-12-18(11-13-5-2-3-8-16(13)22-12)24-28(26,27)19-10-9-17-20-14(19)6-4-7-15(20)21(25)23-17/h2-11,24H,1H3,(H,23,25)
InChIKeyKBIFBCNCQKDCKI-UHFFFAOYSA-N
XLogP4.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylquinolin-3-yl)-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

3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 134025383
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55662988
N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 60588923
2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55895798
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 166179424) is N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is Cc1nc2ccccc2cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is KBIFBCNCQKDCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c1-12-18(11-13-5-2-3-8-16(13)22-12)24-28(26,27)19-10-9-17-20-14(19)6-4-7-15(20)21(25)23-17/h2-11,24H,1H3,(H,23,25).
What are the key properties of N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 389.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 166179424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).