3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide

C11H15NO4S — CID 103895676

IUPAC3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide
SMILESCS(=O)CCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15NO4S/c1-17(16)4-2-3-12-11(15)8-5-9(13)7-10(14)6-8/h5-7,13-14H,2-4H2,1H3,(H,12,15)
InChIKeyXIEBXRBMATYCHO-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.60
Rot. Bonds5

About 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide

3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide (PubChem CID 103895676) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide
PubChem CID103895676
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide
SMILESCS(=O)CCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15NO4S/c1-17(16)4-2-3-12-11(15)8-5-9(13)7-10(14)6-8/h5-7,13-14H,2-4H2,1H3,(H,12,15)
InChIKeyXIEBXRBMATYCHO-UHFFFAOYSA-N
XLogP0.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-(3-chloropropyl)-3,5-dihydroxybenzamide
CID 107705954
N-(6-chlorohexyl)-3,5-dihydroxybenzamide
CID 107847362
3-bromo-4-chloro-N-(3-methylsulfinylpropyl)benzamide
CID 103842015
4-(3-methylsulfinylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 115730367
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
CID 113487169
3-amino-4-methoxy-N-(3-methylsulfinylpropyl)benzamide
CID 113487114
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005
3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
CID 108542562

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide (CID 103895676) is 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide is CS(=O)CCCNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide?
The InChIKey is XIEBXRBMATYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-17(16)4-2-3-12-11(15)8-5-9(13)7-10(14)6-8/h5-7,13-14H,2-4H2,1H3,(H,12,15).
What are the key properties of 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide?
3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide has a molecular weight of 257.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide is sourced from PubChem (CID 103895676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).