N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide

C17H15N3O3S — CID 4785409

IUPACN-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H15N3O3S/c18-24(22,23)14-8-5-12(6-9-14)11-19-17(21)16-10-7-13-3-1-2-4-15(13)20-16/h1-10H,11H2,(H,19,21)(H2,18,22,23)
InChIKeyWFDUUVQMEYMIMC-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.81
Rot. Bonds4

About N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide

N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide (PubChem CID 4785409) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
PubChem CID4785409
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C17H15N3O3S/c18-24(22,23)14-8-5-12(6-9-14)11-19-17(21)16-10-7-13-3-1-2-4-15(13)20-16/h1-10H,11H2,(H,19,21)(H2,18,22,23)
InChIKeyWFDUUVQMEYMIMC-UHFFFAOYSA-N
XLogP1.81
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide 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-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide (CID 4785409) is N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide?
The InChIKey is WFDUUVQMEYMIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c18-24(22,23)14-8-5-12(6-9-14)11-19-17(21)16-10-7-13-3-1-2-4-15(13)20-16/h1-10H,11H2,(H,19,21)(H2,18,22,23).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide?
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 4785409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).