2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide

C12H15F2NO3S — CID 42962651

IUPAC2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO3S/c1-3-6-15-12(16)8(2)19(17,18)9-4-5-10(13)11(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyFOTXLIVOEGSBMO-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.65
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide

2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide (PubChem CID 42962651) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide
PubChem CID42962651
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO3S/c1-3-6-15-12(16)8(2)19(17,18)9-4-5-10(13)11(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyFOTXLIVOEGSBMO-UHFFFAOYSA-N
XLogP1.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide (CID 42962651) is 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide is CCCNC(=O)C(C)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide?
The InChIKey is FOTXLIVOEGSBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-3-6-15-12(16)8(2)19(17,18)9-4-5-10(13)11(14)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide?
2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide has a molecular weight of 291.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfonyl-N-propylpropanamide is sourced from PubChem (CID 42962651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).