2-(benzenesulfonyl)-N-propylacetamide

C11H15NO3S — CID 4683894

IUPAC2-(benzenesulfonyl)-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-2-8-12-11(13)9-16(14,15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
InChIKeyBOKBYGWFGVUJCP-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.99
Rot. Bonds5

About 2-(benzenesulfonyl)-N-propylacetamide

2-(benzenesulfonyl)-N-propylacetamide (PubChem CID 4683894) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-propylacetamide
PubChem CID4683894
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(benzenesulfonyl)-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-2-8-12-11(13)9-16(14,15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
InChIKeyBOKBYGWFGVUJCP-UHFFFAOYSA-N
XLogP0.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
CID 87023768
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate
CID 17257191
2-benzylsulfonyl-N-propylacetamide
CID 47155800
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
2-methoxy-5-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid
CID 43323056
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-propylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-propylacetamide (CID 4683894) is 2-(benzenesulfonyl)-N-propylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-propylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-propylacetamide is CCCNC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-propylacetamide?
The InChIKey is BOKBYGWFGVUJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-8-12-11(13)9-16(14,15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13).
What are the key properties of 2-(benzenesulfonyl)-N-propylacetamide?
2-(benzenesulfonyl)-N-propylacetamide has a molecular weight of 241.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-propylacetamide is sourced from PubChem (CID 4683894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).