N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide

C20H17BrN2O3S — CID 1333667

IUPACN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C20H17BrN2O3S/c1-14-2-4-15(5-3-14)20(24)22-17-10-12-19(13-11-17)27(25,26)23-18-8-6-16(21)7-9-18/h2-13,23H,1H3,(H,22,24)
InChIKeyLWJVCOCFORHYPM-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.81
Rot. Bonds5

About N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide (PubChem CID 1333667) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
PubChem CID1333667
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C20H17BrN2O3S/c1-14-2-4-15(5-3-14)20(24)22-17-10-12-19(13-11-17)27(25,26)23-18-8-6-16(21)7-9-18/h2-13,23H,1H3,(H,22,24)
InChIKeyLWJVCOCFORHYPM-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide (CID 1333667) is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The InChIKey is LWJVCOCFORHYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-14-2-4-15(5-3-14)20(24)22-17-10-12-19(13-11-17)27(25,26)23-18-8-6-16(21)7-9-18/h2-13,23H,1H3,(H,22,24).
What are the key properties of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide?
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide has a molecular weight of 445.34 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 1333667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).