5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide

C22H21BrN2O4S — CID 17094248

IUPAC5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-14-4-10-20(15(2)12-14)25-30(27,28)18-8-6-17(7-9-18)24-22(26)19-13-16(23)5-11-21(19)29-3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyKKVOKJMZQHILDH-UHFFFAOYSA-N
MW489.39 g/mol
LogP5.13
Rot. Bonds6

About 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide

5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide (PubChem CID 17094248) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
PubChem CID17094248
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC Name5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-14-4-10-20(15(2)12-14)25-30(27,28)18-8-6-17(7-9-18)24-22(26)19-13-16(23)5-11-21(19)29-3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyKKVOKJMZQHILDH-UHFFFAOYSA-N
XLogP5.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.39
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
5-bromo-2-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17094246
5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17094279
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-ethoxybenzamide
CID 4926353
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094227
2,3-dimethoxy-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 100530709
5-bromo-2-methoxy-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17094436
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide (CID 17094248) is 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide?
The InChIKey is KKVOKJMZQHILDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-14-4-10-20(15(2)12-14)25-30(27,28)18-8-6-17(7-9-18)24-22(26)19-13-16(23)5-11-21(19)29-3/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide?
5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide has a molecular weight of 489.39 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17094248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).