N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide

C20H16BrClN2O3S — CID 1252514

IUPACN-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C20H16BrClN2O3S/c1-13-7-8-14(20(25)23-16-9-10-17(21)18(22)12-16)11-19(13)28(26,27)24-15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,25)
InChIKeyQPAPYSSTTIDNOL-UHFFFAOYSA-N
MW479.78 g/mol
LogP5.46
Rot. Bonds5

About N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide

N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 1252514) has the molecular formula C20H16BrClN2O3S and a molecular weight of 479.78 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID1252514
Molecular FormulaC20H16BrClN2O3S
Molecular Weight479.78 g/mol
Exact Mass477.98
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C20H16BrClN2O3S/c1-13-7-8-14(20(25)23-16-9-10-17(21)18(22)12-16)11-19(13)28(26,27)24-15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,25)
InChIKeyQPAPYSSTTIDNOL-UHFFFAOYSA-N
XLogP5.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.78
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide (CID 1252514) is N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide is Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is QPAPYSSTTIDNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O3S/c1-13-7-8-14(20(25)23-16-9-10-17(21)18(22)12-16)11-19(13)28(26,27)24-15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,25).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 479.78 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 1252514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).