N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide

C25H24BrClN2O4S — CID 23878524

IUPACN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H24BrClN2O4S/c1-3-4-15-29(2)34(32,33)19-12-9-17(10-13-19)25(31)28-23-14-11-18(26)16-21(23)24(30)20-7-5-6-8-22(20)27/h5-14,16H,3-4,15H2,1-2H3,(H,28,31)
InChIKeyRMFZACOCCAJYIS-UHFFFAOYSA-N
MW563.90 g/mol
LogP6.01
Rot. Bonds9

About N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide (PubChem CID 23878524) has the molecular formula C25H24BrClN2O4S and a molecular weight of 563.90 g/mol. Its IUPAC name is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
PubChem CID23878524
Molecular FormulaC25H24BrClN2O4S
Molecular Weight563.90 g/mol
Exact Mass562.03
IUPAC NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H24BrClN2O4S/c1-3-4-15-29(2)34(32,33)19-12-9-17(10-13-19)25(31)28-23-14-11-18(26)16-21(23)24(30)20-7-5-6-8-22(20)27/h5-14,16H,3-4,15H2,1-2H3,(H,28,31)
InChIKeyRMFZACOCCAJYIS-UHFFFAOYSA-N
XLogP6.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.90
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide
CID 3526024
N-(2-benzoyl-4-bromophenyl)-4-(dimethylsulfamoyl)benzamide
CID 1356278
N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 23847974
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
CID 4101217
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952514
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7733390
3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
CID 109065487
N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide
CID 24616557
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide (CID 23878524) is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide?
The InChIKey is RMFZACOCCAJYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrClN2O4S/c1-3-4-15-29(2)34(32,33)19-12-9-17(10-13-19)25(31)28-23-14-11-18(26)16-21(23)24(30)20-7-5-6-8-22(20)27/h5-14,16H,3-4,15H2,1-2H3,(H,28,31).
What are the key properties of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide?
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide has a molecular weight of 563.90 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 23878524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).