N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide

C11H13F2NO3S — CID 75482736

IUPACN-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide
SMILESCC(=O)NCCCS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO3S/c1-8(15)14-5-2-6-18(16,17)9-3-4-10(12)11(13)7-9/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeySUQPNTQZELBZJP-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.26
Rot. Bonds5

About N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide

N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide (PubChem CID 75482736) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide
PubChem CID75482736
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC NameN-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide
SMILESCC(=O)NCCCS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO3S/c1-8(15)14-5-2-6-18(16,17)9-3-4-10(12)11(13)7-9/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeySUQPNTQZELBZJP-UHFFFAOYSA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide?
The IUPAC name of N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide (CID 75482736) is N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide.
What is the SMILES notation for N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide?
The canonical SMILES for N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide is CC(=O)NCCCS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide?
The InChIKey is SUQPNTQZELBZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-8(15)14-5-2-6-18(16,17)9-3-4-10(12)11(13)7-9/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide?
N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide has a molecular weight of 277.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenyl)sulfonylpropyl]acetamide is sourced from PubChem (CID 75482736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).