2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide

C23H19N3O3S — CID 4591569

IUPAC2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H19N3O3S/c1-15-9-11-16(12-10-15)22-14-20(19-7-2-3-8-21(19)26-22)23(27)25-17-5-4-6-18(13-17)30(24,28)29/h2-14H,1H3,(H,25,27)(H2,24,28,29)
InChIKeySZBCZOWSZCOQAR-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide

2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide (PubChem CID 4591569) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
PubChem CID4591569
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H19N3O3S/c1-15-9-11-16(12-10-15)22-14-20(19-7-2-3-8-21(19)26-22)23(27)25-17-5-4-6-18(13-17)30(24,28)29/h2-14H,1H3,(H,25,27)(H2,24,28,29)
InChIKeySZBCZOWSZCOQAR-UHFFFAOYSA-N
XLogP4.11
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
2-(4-chlorophenyl)-N-[3-(sulfamoylmethyl)phenyl]quinoline-4-carboxamide
CID 60610827
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 3883463
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide
CID 24540352
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide (CID 4591569) is 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide?
The InChIKey is SZBCZOWSZCOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-15-9-11-16(12-10-15)22-14-20(19-7-2-3-8-21(19)26-22)23(27)25-17-5-4-6-18(13-17)30(24,28)29/h2-14H,1H3,(H,25,27)(H2,24,28,29).
What are the key properties of 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide?
2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(3-sulfamoylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4591569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).