N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide

C11H13F2NO4S — CID 134034634

IUPACN-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2NO4S/c1-19(16,17)7-6-10(15)14-8-2-4-9(5-3-8)18-11(12)13/h2-5,11H,6-7H2,1H3,(H,14,15)
InChIKeyRVHZVCZYEXZYKY-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.66
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide

N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide (PubChem CID 134034634) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide
PubChem CID134034634
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H13F2NO4S/c1-19(16,17)7-6-10(15)14-8-2-4-9(5-3-8)18-11(12)13/h2-5,11H,6-7H2,1H3,(H,14,15)
InChIKeyRVHZVCZYEXZYKY-UHFFFAOYSA-N
XLogP1.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8502565
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800768
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide (CID 134034634) is N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide?
The InChIKey is RVHZVCZYEXZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-19(16,17)7-6-10(15)14-8-2-4-9(5-3-8)18-11(12)13/h2-5,11H,6-7H2,1H3,(H,14,15).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide?
N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide has a molecular weight of 293.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 134034634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).