5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide

C18H21BrN2O4S — CID 60584852

IUPAC5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-12(2)21(3)26(24,25)15-7-4-13(5-8-15)11-20-18(23)16-10-14(19)6-9-17(16)22/h4-10,12,22H,11H2,1-3H3,(H,20,23)
InChIKeyWJORIYPRKSVMDI-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.11
Rot. Bonds6

About 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide

5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide (PubChem CID 60584852) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
PubChem CID60584852
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-12(2)21(3)26(24,25)15-7-4-13(5-8-15)11-20-18(23)16-10-14(19)6-9-17(16)22/h4-10,12,22H,11H2,1-3H3,(H,20,23)
InChIKeyWJORIYPRKSVMDI-UHFFFAOYSA-N
XLogP3.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
5-bromo-2-hydroxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798078
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide
CID 60571641
5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783682
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
CID 55816021
2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46579609
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512
N-[2-[2-(5-bromo-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 55376510
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide (CID 60584852) is 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide?
The InChIKey is WJORIYPRKSVMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-12(2)21(3)26(24,25)15-7-4-13(5-8-15)11-20-18(23)16-10-14(19)6-9-17(16)22/h4-10,12,22H,11H2,1-3H3,(H,20,23).
What are the key properties of 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide?
5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide has a molecular weight of 441.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 60584852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).