4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide

C11H14BrNO4S — CID 103830547

IUPAC4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H14BrNO4S/c1-18(16,17)6-2-5-13-11(15)8-3-4-9(12)10(14)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyIPUQGZSRAGEHCK-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.32
Rot. Bonds5

About 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide

4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide (PubChem CID 103830547) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
PubChem CID103830547
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H14BrNO4S/c1-18(16,17)6-2-5-13-11(15)8-3-4-9(12)10(14)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyIPUQGZSRAGEHCK-UHFFFAOYSA-N
XLogP1.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-(3-methylsulfonylpropylcarbamoyl)phthalic acid
CID 20769742
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-3-hydroxybenzamide
CID 103958299
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
CID 103830443

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide (CID 103830547) is 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide is CS(=O)(=O)CCCNC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide?
The InChIKey is IPUQGZSRAGEHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-18(16,17)6-2-5-13-11(15)8-3-4-9(12)10(14)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide?
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide has a molecular weight of 336.21 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 103830547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).