N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide

C21H19BrN2O3S — CID 15990884

IUPACN-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H19BrN2O3S/c22-19-10-12-20(13-11-19)28(26,27)24-15-17-6-8-18(9-7-17)21(25)23-14-16-4-2-1-3-5-16/h1-13,24H,14-15H2,(H,23,25)
InChIKeyNXMZIKQSFPQWRF-UHFFFAOYSA-N
MW459.37 g/mol
LogP3.86
Rot. Bonds7

About N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide

N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide (PubChem CID 15990884) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
PubChem CID15990884
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC NameN-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H19BrN2O3S/c22-19-10-12-20(13-11-19)28(26,27)24-15-17-6-8-18(9-7-17)21(25)23-14-16-4-2-1-3-5-16/h1-13,24H,14-15H2,(H,23,25)
InChIKeyNXMZIKQSFPQWRF-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
4-(benzylsulfamoyl)benzoate
CID 4743721
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide (CID 15990884) is N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide is O=C(NCc1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is NXMZIKQSFPQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c22-19-10-12-20(13-11-19)28(26,27)24-15-17-6-8-18(9-7-17)21(25)23-14-16-4-2-1-3-5-16/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide?
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 459.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 15990884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).