3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide

C17H18BrN3O4S — CID 167867389

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrN3O4S/c18-14-4-6-15(7-5-14)20-26(23,24)16-3-1-2-13(12-16)17(22)19-21-8-10-25-11-9-21/h1-7,12,20H,8-11H2,(H,19,22)
InChIKeyQVFZCEOAYZOWOI-UHFFFAOYSA-N
MW440.32 g/mol
LogP2.23
Rot. Bonds5

About 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide

3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide (PubChem CID 167867389) has the molecular formula C17H18BrN3O4S and a molecular weight of 440.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide
PubChem CID167867389
Molecular FormulaC17H18BrN3O4S
Molecular Weight440.32 g/mol
Exact Mass439.02
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrN3O4S/c18-14-4-6-15(7-5-14)20-26(23,24)16-3-1-2-13(12-16)17(22)19-21-8-10-25-11-9-21/h1-7,12,20H,8-11H2,(H,19,22)
InChIKeyQVFZCEOAYZOWOI-UHFFFAOYSA-N
XLogP2.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4691629
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide
CID 9271915
3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 42939983
3-[[(4-bromobenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 2518308
3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9204806
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide (CID 167867389) is 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide is O=C(NN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide?
The InChIKey is QVFZCEOAYZOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4S/c18-14-4-6-15(7-5-14)20-26(23,24)16-3-1-2-13(12-16)17(22)19-21-8-10-25-11-9-21/h1-7,12,20H,8-11H2,(H,19,22).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide has a molecular weight of 440.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 167867389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).