3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide

C20H17BrN2O4S — CID 51476076

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H17BrN2O4S/c21-17-9-11-18(12-10-17)23-28(25,26)19-8-4-7-16(13-19)20(24)22-27-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H,22,24)
InChIKeyLNGIBRRWNRKCHQ-UHFFFAOYSA-N
MW461.34 g/mol
LogP4.11
Rot. Bonds7

About 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide

3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide (PubChem CID 51476076) has the molecular formula C20H17BrN2O4S and a molecular weight of 461.34 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
PubChem CID51476076
Molecular FormulaC20H17BrN2O4S
Molecular Weight461.34 g/mol
Exact Mass460.01
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H17BrN2O4S/c21-17-9-11-18(12-10-17)23-28(25,26)19-8-4-7-16(13-19)20(24)22-27-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H,22,24)
InChIKeyLNGIBRRWNRKCHQ-UHFFFAOYSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 55408815
3-[[(4-bromobenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 2518308
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
N-phenylmethoxy-3-(propylsulfonylamino)benzamide
CID 32581421
3-(phenylmethoxysulfamoyl)benzoate
CID 2529533
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide (CID 51476076) is 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide?
The InChIKey is LNGIBRRWNRKCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4S/c21-17-9-11-18(12-10-17)23-28(25,26)19-8-4-7-16(13-19)20(24)22-27-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H,22,24).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide has a molecular weight of 461.34 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide is sourced from PubChem (CID 51476076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).