3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide

C10H13NO4S — CID 67647085

IUPAC3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)C(O)CC(N)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-7-2-4-8(5-3-7)16(14,15)10(13)6-9(11)12/h2-5,10,13H,6H2,1H3,(H2,11,12)
InChIKeyKYYJSLCXUUPACC-UHFFFAOYSA-N
MW243.28 g/mol
LogP-0.04
Rot. Bonds4

About 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide

3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 67647085) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID67647085
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)C(O)CC(N)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-7-2-4-8(5-3-7)16(14,15)10(13)6-9(11)12/h2-5,10,13H,6H2,1H3,(H2,11,12)
InChIKeyKYYJSLCXUUPACC-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide (CID 67647085) is 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)C(O)CC(N)=O)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is KYYJSLCXUUPACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7-2-4-8(5-3-7)16(14,15)10(13)6-9(11)12/h2-5,10,13H,6H2,1H3,(H2,11,12).
What are the key properties of 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide?
3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 243.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 67647085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).