3-(3-hydroxy-4-methylsulfonylphenyl)propanamide

C10H13NO4S — CID 68518309

IUPAC3-(3-hydroxy-4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(CCC(N)=O)cc1O
InChIInChI=1S/C10H13NO4S/c1-16(14,15)9-4-2-7(6-8(9)12)3-5-10(11)13/h2,4,6,12H,3,5H2,1H3,(H2,11,13)
InChIKeyRBBYPDCFOZOPGO-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.21
Rot. Bonds4

About 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide

3-(3-hydroxy-4-methylsulfonylphenyl)propanamide (PubChem CID 68518309) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylsulfonylphenyl)propanamide
PubChem CID68518309
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-(3-hydroxy-4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(CCC(N)=O)cc1O
InChIInChI=1S/C10H13NO4S/c1-16(14,15)9-4-2-7(6-8(9)12)3-5-10(11)13/h2,4,6,12H,3,5H2,1H3,(H2,11,13)
InChIKeyRBBYPDCFOZOPGO-UHFFFAOYSA-N
XLogP0.21
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-5-propylphenol
CID 174640128
5-(4-aminobutyl)-2-methylsulfonylphenol
CID 117360580
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
3-(3-fluoro-4-methylsulfonylphenyl)propanoic acid
CID 84803162
[2-hydroxy-2-(3-hydroxy-4-methylsulfonylphenyl)ethyl] carbamate
CID 67826417
4-(4-methylsulfonylphenyl)butanamide
CID 66848825
1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
ethane;3-(4-methylphenyl)propanamide
CID 142510251
3-(3,5-ditert-butylphenyl)propanamide
CID 58456414
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide (CID 68518309) is 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(CCC(N)=O)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide?
The InChIKey is RBBYPDCFOZOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-16(14,15)9-4-2-7(6-8(9)12)3-5-10(11)13/h2,4,6,12H,3,5H2,1H3,(H2,11,13).
What are the key properties of 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide?
3-(3-hydroxy-4-methylsulfonylphenyl)propanamide has a molecular weight of 243.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 68518309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).