N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

C35H26BrN3O3S — CID 3110691

IUPACN-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)cc2)cc1
InChIInChI=1S/C35H26BrN3O3S/c1-23-7-18-30(19-8-23)43(41,42)39-29-16-11-26(12-17-29)35(40)37-28-14-9-25(10-15-28)34-22-31(24-5-3-2-4-6-24)32-21-27(36)13-20-33(32)38-34/h2-22,39H,1H3,(H,37,40)
InChIKeyYDFLSELZXWJZTP-UHFFFAOYSA-N
MW648.58 g/mol
LogP8.69
Rot. Bonds7

About N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 3110691) has the molecular formula C35H26BrN3O3S and a molecular weight of 648.58 g/mol. Its IUPAC name is N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID3110691
Molecular FormulaC35H26BrN3O3S
Molecular Weight648.58 g/mol
Exact Mass647.09
IUPAC NameN-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)cc2)cc1
InChIInChI=1S/C35H26BrN3O3S/c1-23-7-18-30(19-8-23)43(41,42)39-29-16-11-26(12-17-29)35(40)37-28-14-9-25(10-15-28)34-22-31(24-5-3-2-4-6-24)32-21-27(36)13-20-33(32)38-34/h2-22,39H,1H3,(H,37,40)
InChIKeyYDFLSELZXWJZTP-UHFFFAOYSA-N
XLogP8.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.58
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide
CID 1264811
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide
CID 3098585
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 3110691) is N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is YDFLSELZXWJZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26BrN3O3S/c1-23-7-18-30(19-8-23)43(41,42)39-29-16-11-26(12-17-29)35(40)37-28-14-9-25(10-15-28)34-22-31(24-5-3-2-4-6-24)32-21-27(36)13-20-33(32)38-34/h2-22,39H,1H3,(H,37,40).
What are the key properties of N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 648.58 g/mol, XLogP of 8.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 3110691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).