3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide

C22H28BrN3O3S — CID 55386926

IUPAC3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)CC1
InChIInChI=1S/C22H28BrN3O3S/c1-3-11-26-12-9-18(10-13-26)24-22(27)17-5-4-6-19(15-17)30(28,29)25-21-14-16(2)7-8-20(21)23/h4-8,14-15,18,25H,3,9-13H2,1-2H3,(H,24,27)
InChIKeyYMPIYAYYODOFDP-UHFFFAOYSA-N
MW494.46 g/mol
LogP4.16
Rot. Bonds7

About 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 55386926) has the molecular formula C22H28BrN3O3S and a molecular weight of 494.46 g/mol. Its IUPAC name is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID55386926
Molecular FormulaC22H28BrN3O3S
Molecular Weight494.46 g/mol
Exact Mass493.10
IUPAC Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)CC1
InChIInChI=1S/C22H28BrN3O3S/c1-3-11-26-12-9-18(10-13-26)24-22(27)17-5-4-6-19(15-17)30(28,29)25-21-14-16(2)7-8-20(21)23/h4-8,14-15,18,25H,3,9-13H2,1-2H3,(H,24,27)
InChIKeyYMPIYAYYODOFDP-UHFFFAOYSA-N
XLogP4.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387130
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 60519873
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
CID 27232311
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 9264696
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide (CID 55386926) is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)CC1.
What is the InChIKey of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is YMPIYAYYODOFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O3S/c1-3-11-26-12-9-18(10-13-26)24-22(27)17-5-4-6-19(15-17)30(28,29)25-21-14-16(2)7-8-20(21)23/h4-8,14-15,18,25H,3,9-13H2,1-2H3,(H,24,27).
What are the key properties of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide?
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 494.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55386926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).