N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C26H24ClN3O5S — CID 5211935

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H24ClN3O5S/c1-30(2)36(32,33)17-10-11-20(27)23(14-17)29-26(31)19-15-22(28-21-8-6-5-7-18(19)21)16-9-12-24(34-3)25(13-16)35-4/h5-15H,1-4H3,(H,29,31)
InChIKeyHWALJBUYWDHTSD-UHFFFAOYSA-N
MW526.01 g/mol
LogP5.07
Rot. Bonds7

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 5211935) has the molecular formula C26H24ClN3O5S and a molecular weight of 526.01 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID5211935
Molecular FormulaC26H24ClN3O5S
Molecular Weight526.01 g/mol
Exact Mass525.11
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H24ClN3O5S/c1-30(2)36(32,33)17-10-11-20(27)23(14-17)29-26(31)19-15-22(28-21-8-6-5-7-18(19)21)16-9-12-24(34-3)25(13-16)35-4/h5-15H,1-4H3,(H,29,31)
InChIKeyHWALJBUYWDHTSD-UHFFFAOYSA-N
XLogP5.07
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.01
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]quinoline-4-carboxamide
CID 16545912
2-(2,4-dimethylphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-4-carboxamide
CID 26205359
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenylquinoline-4-carboxamide
CID 16564312
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 16550601
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4638958

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 5211935) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)c3ccccc3n2)cc1OC.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is HWALJBUYWDHTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O5S/c1-30(2)36(32,33)17-10-11-20(27)23(14-17)29-26(31)19-15-22(28-21-8-6-5-7-18(19)21)16-9-12-24(34-3)25(13-16)35-4/h5-15H,1-4H3,(H,29,31).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 526.01 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5211935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).