N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide

C20H17BrN2O3S — CID 1287289

IUPACN-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C20H17BrN2O3S/c1-14-5-11-19(12-6-14)27(25,26)23-18-4-2-3-15(13-18)20(24)22-17-9-7-16(21)8-10-17/h2-13,23H,1H3,(H,22,24)
InChIKeyXPZGXXMKPXQXAD-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.81
Rot. Bonds5

About N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide

N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 1287289) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID1287289
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC NameN-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C20H17BrN2O3S/c1-14-5-11-19(12-6-14)27(25,26)23-18-4-2-3-15(13-18)20(24)22-17-9-7-16(21)8-10-17/h2-13,23H,1H3,(H,22,24)
InChIKeyXPZGXXMKPXQXAD-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-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 92505181
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 1287289) is N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XPZGXXMKPXQXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-14-5-11-19(12-6-14)27(25,26)23-18-4-2-3-15(13-18)20(24)22-17-9-7-16(21)8-10-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide 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-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 1287289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).