N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide

C18H17N3O3S — CID 9107051

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3n2)ccc1C
InChIInChI=1S/C18H17N3O3S/c1-12-7-9-14(11-17(12)25(23,24)19-2)20-18(22)16-10-8-13-5-3-4-6-15(13)21-16/h3-11,19H,1-2H3,(H,20,22)
InChIKeyLWIZHTDEJFFLAR-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.70
Rot. Bonds4

About N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide (PubChem CID 9107051) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide
PubChem CID9107051
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3n2)ccc1C
InChIInChI=1S/C18H17N3O3S/c1-12-7-9-14(11-17(12)25(23,24)19-2)20-18(22)16-10-8-13-5-3-4-6-15(13)21-16/h3-11,19H,1-2H3,(H,20,22)
InChIKeyLWIZHTDEJFFLAR-UHFFFAOYSA-N
XLogP2.70
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220
N-[4-methyl-3-(methylsulfamoyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39441482
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 9107286
N-[3-(methanesulfonamido)phenyl]quinoline-2-carboxamide
CID 39204506
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618119
2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24646825
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide (CID 9107051) is N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide is CNS(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3n2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide?
The InChIKey is LWIZHTDEJFFLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-7-9-14(11-17(12)25(23,24)19-2)20-18(22)16-10-8-13-5-3-4-6-15(13)21-16/h3-11,19H,1-2H3,(H,20,22).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 9107051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).