2-(benzenesulfonyl)propanamide

C9H11NO3S — CID 18474059

IUPAC2-(benzenesulfonyl)propanamide
SMILESCC(C(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO3S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)
InChIKeySFNCEGFOAIRTAL-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.33
Rot. Bonds3

About 2-(benzenesulfonyl)propanamide

2-(benzenesulfonyl)propanamide (PubChem CID 18474059) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)propanamide
PubChem CID18474059
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-(benzenesulfonyl)propanamide
SMILESCC(C(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO3S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)
InChIKeySFNCEGFOAIRTAL-UHFFFAOYSA-N
XLogP0.33
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)propanamide?
The IUPAC name of 2-(benzenesulfonyl)propanamide (CID 18474059) is 2-(benzenesulfonyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)propanamide?
The canonical SMILES for 2-(benzenesulfonyl)propanamide is CC(C(N)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)propanamide?
The InChIKey is SFNCEGFOAIRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11).
What are the key properties of 2-(benzenesulfonyl)propanamide?
2-(benzenesulfonyl)propanamide has a molecular weight of 213.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)propanamide is sourced from PubChem (CID 18474059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).