N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide

C27H21BrN2O4S — CID 121043946

IUPACN-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H21BrN2O4S/c1-18-7-14-23(15-8-18)35(33,34)30-22-12-9-20(10-13-22)27(32)29-25-16-11-21(28)17-24(25)26(31)19-5-3-2-4-6-19/h2-17,30H,1H3,(H,29,32)
InChIKeyXNZGYMSVJJZNCY-UHFFFAOYSA-N
MW549.45 g/mol
LogP6.04
Rot. Bonds7

About N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide

N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 121043946) has the molecular formula C27H21BrN2O4S and a molecular weight of 549.45 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID121043946
Molecular FormulaC27H21BrN2O4S
Molecular Weight549.45 g/mol
Exact Mass548.04
IUPAC NameN-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H21BrN2O4S/c1-18-7-14-23(15-8-18)35(33,34)30-22-12-9-20(10-13-22)27(32)29-25-16-11-21(28)17-24(25)26(31)19-5-3-2-4-6-19/h2-17,30H,1H3,(H,29,32)
InChIKeyXNZGYMSVJJZNCY-UHFFFAOYSA-N
XLogP6.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.45
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 53279919
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3110691
N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 23847974
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 121043946) is N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XNZGYMSVJJZNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2O4S/c1-18-7-14-23(15-8-18)35(33,34)30-22-12-9-20(10-13-22)27(32)29-25-16-11-21(28)17-24(25)26(31)19-5-3-2-4-6-19/h2-17,30H,1H3,(H,29,32).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 549.45 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121043946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).