N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide

C23H19N3O2S — CID 4564027

IUPACN'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
SMILESCc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H19N3O2S/c1-17-16-22(20-14-8-9-15-21(20)24-17)25-23(18-10-4-2-5-11-18)26-29(27,28)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,25,26)
InChIKeyDWPJHEMVSNOIOO-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.79
Rot. Bonds4

About N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide

N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide (PubChem CID 4564027) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
PubChem CID4564027
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
SMILESCc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H19N3O2S/c1-17-16-22(20-14-8-9-15-21(20)24-17)25-23(18-10-4-2-5-11-18)26-29(27,28)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,25,26)
InChIKeyDWPJHEMVSNOIOO-UHFFFAOYSA-N
XLogP4.79
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide 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

1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
CID 107020202
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(benzenesulfonyl)benzenecarboximidamide
CID 6257393
N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
CID 6343610
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide (CID 4564027) is N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide is Cc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)c2ccccc2n1.
What is the InChIKey of N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide?
The InChIKey is DWPJHEMVSNOIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-17-16-22(20-14-8-9-15-21(20)24-17)25-23(18-10-4-2-5-11-18)26-29(27,28)19-12-6-3-7-13-19/h2-16H,1H3,(H,24,25,26).
What are the key properties of N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide?
N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide has a molecular weight of 401.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 4564027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).