N-(benzenesulfonyl)-2-hydroxypropanamide

C9H11NO4S — CID 2855396

IUPACN-(benzenesulfonyl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-7(11)9(12)10-15(13,14)8-5-3-2-4-6-8/h2-7,11H,1H3,(H,10,12)
InChIKeyMPAIHIJNAHWJPO-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.13
Rot. Bonds3

About N-(benzenesulfonyl)-2-hydroxypropanamide

N-(benzenesulfonyl)-2-hydroxypropanamide (PubChem CID 2855396) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-hydroxypropanamide
PubChem CID2855396
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC NameN-(benzenesulfonyl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-7(11)9(12)10-15(13,14)8-5-3-2-4-6-8/h2-7,11H,1H3,(H,10,12)
InChIKeyMPAIHIJNAHWJPO-UHFFFAOYSA-N
XLogP-0.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-hydroxypropanamide?
The IUPAC name of N-(benzenesulfonyl)-2-hydroxypropanamide (CID 2855396) is N-(benzenesulfonyl)-2-hydroxypropanamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-hydroxypropanamide?
The canonical SMILES for N-(benzenesulfonyl)-2-hydroxypropanamide is CC(O)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-hydroxypropanamide?
The InChIKey is MPAIHIJNAHWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-7(11)9(12)10-15(13,14)8-5-3-2-4-6-8/h2-7,11H,1H3,(H,10,12).
What are the key properties of N-(benzenesulfonyl)-2-hydroxypropanamide?
N-(benzenesulfonyl)-2-hydroxypropanamide has a molecular weight of 229.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-hydroxypropanamide is sourced from PubChem (CID 2855396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).