2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide

C29H22FN3O3S — CID 2439803

IUPAC2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C29H22FN3O3S/c1-19-6-16-24(17-7-19)37(35,36)33-23-14-12-22(13-15-23)31-29(34)26-18-28(20-8-10-21(30)11-9-20)32-27-5-3-2-4-25(26)27/h2-18,33H,1H3,(H,31,34)
InChIKeyCPZXQWKUZXNFRM-UHFFFAOYSA-N
MW511.58 g/mol
LogP6.40
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide

2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide (PubChem CID 2439803) has the molecular formula C29H22FN3O3S and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
PubChem CID2439803
Molecular FormulaC29H22FN3O3S
Molecular Weight511.58 g/mol
Exact Mass511.14
IUPAC Name2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C29H22FN3O3S/c1-19-6-16-24(17-7-19)37(35,36)33-23-14-12-22(13-15-23)31-29(34)26-18-28(20-8-10-21(30)11-9-20)32-27-5-3-2-4-25(26)27/h2-18,33H,1H3,(H,31,34)
InChIKeyCPZXQWKUZXNFRM-UHFFFAOYSA-N
XLogP6.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2375419
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 1009544

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide (CID 2439803) is 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide?
The InChIKey is CPZXQWKUZXNFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN3O3S/c1-19-6-16-24(17-7-19)37(35,36)33-23-14-12-22(13-15-23)31-29(34)26-18-28(20-8-10-21(30)11-9-20)32-27-5-3-2-4-25(26)27/h2-18,33H,1H3,(H,31,34).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 2439803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).