N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C29H21Cl2N3O4S — CID 4103073

IUPACN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c3ccccc3n2)cc1
InChIInChI=1S/C29H21Cl2N3O4S/c1-38-22-13-6-18(7-14-22)27-17-24(23-4-2-3-5-26(23)33-27)29(35)32-21-12-15-25(31)28(16-21)39(36,37)34-20-10-8-19(30)9-11-20/h2-17,34H,1H3,(H,32,35)
InChIKeyFALARZCCBNAERY-UHFFFAOYSA-N
MW578.48 g/mol
LogP7.27
Rot. Bonds7

About N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4103073) has the molecular formula C29H21Cl2N3O4S and a molecular weight of 578.48 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4103073
Molecular FormulaC29H21Cl2N3O4S
Molecular Weight578.48 g/mol
Exact Mass577.06
IUPAC NameN-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c3ccccc3n2)cc1
InChIInChI=1S/C29H21Cl2N3O4S/c1-38-22-13-6-18(7-14-22)27-17-24(23-4-2-3-5-26(23)33-27)29(35)32-21-12-15-25(31)28(16-21)39(36,37)34-20-10-8-19(30)9-11-20/h2-17,34H,1H3,(H,32,35)
InChIKeyFALARZCCBNAERY-UHFFFAOYSA-N
XLogP7.27
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.48
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 175308074
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
2-(4-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]quinoline-4-carboxamide
CID 3270456
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 4103073) is N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is FALARZCCBNAERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21Cl2N3O4S/c1-38-22-13-6-18(7-14-22)27-17-24(23-4-2-3-5-26(23)33-27)29(35)32-21-12-15-25(31)28(16-21)39(36,37)34-20-10-8-19(30)9-11-20/h2-17,34H,1H3,(H,32,35).
What are the key properties of N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 578.48 g/mol, XLogP of 7.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4103073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).