3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide

C21H26BrN3O4S — CID 42939983

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
SMILESCC1CN(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC(C)O1
InChIInChI=1S/C21H26BrN3O4S/c1-15-13-25(14-16(2)29-15)11-10-23-21(26)17-4-3-5-20(12-17)30(27,28)24-19-8-6-18(22)7-9-19/h3-9,12,15-16,24H,10-11,13-14H2,1-2H3,(H,23,26)
InChIKeyURPRHBYNRBABFW-UHFFFAOYSA-N
MW496.43 g/mol
LogP3.09
Rot. Bonds7

About 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide

3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide (PubChem CID 42939983) has the molecular formula C21H26BrN3O4S and a molecular weight of 496.43 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
PubChem CID42939983
Molecular FormulaC21H26BrN3O4S
Molecular Weight496.43 g/mol
Exact Mass495.08
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
SMILESCC1CN(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC(C)O1
InChIInChI=1S/C21H26BrN3O4S/c1-15-13-25(14-16(2)29-15)11-10-23-21(26)17-4-3-5-20(12-17)30(27,28)24-19-8-6-18(22)7-9-19/h3-9,12,15-16,24H,10-11,13-14H2,1-2H3,(H,23,26)
InChIKeyURPRHBYNRBABFW-UHFFFAOYSA-N
XLogP3.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide 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-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43057311
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43044408
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 43044444
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25350845
3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide
CID 167867389
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide (CID 42939983) is 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide is CC1CN(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC(C)O1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The InChIKey is URPRHBYNRBABFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O4S/c1-15-13-25(14-16(2)29-15)11-10-23-21(26)17-4-3-5-20(12-17)30(27,28)24-19-8-6-18(22)7-9-19/h3-9,12,15-16,24H,10-11,13-14H2,1-2H3,(H,23,26).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide has a molecular weight of 496.43 g/mol, XLogP of 3.09, 7 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-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide is sourced from PubChem (CID 42939983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).