N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide

C20H17BrN2O3S — CID 561600

IUPACN-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H17BrN2O3S/c21-17-9-11-18(12-10-17)23-27(25,26)19-8-4-7-16(13-19)20(24)22-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H,22,24)
InChIKeyRXTGROPKWYKXTB-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.18
Rot. Bonds6

About N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide

N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide (PubChem CID 561600) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
PubChem CID561600
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC NameN-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H17BrN2O3S/c21-17-9-11-18(12-10-17)23-27(25,26)19-8-4-7-16(13-19)20(24)22-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H,22,24)
InChIKeyRXTGROPKWYKXTB-UHFFFAOYSA-N
XLogP4.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 51476076
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55948380
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
CID 22773246
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide?
The IUPAC name of N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide (CID 561600) is N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide is O=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide?
The InChIKey is RXTGROPKWYKXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c21-17-9-11-18(12-10-17)23-27(25,26)19-8-4-7-16(13-19)20(24)22-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H,22,24).
What are the key properties of N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide?
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide has a molecular weight of 445.34 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 561600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).