N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide

C12H14F3NO3S — CID 43161175

IUPACN-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)CC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3S/c1-2-7-20(18,19)16-10-5-3-9(4-6-10)11(17)8-12(13,14)15/h3-6,16H,2,7-8H2,1H3
InChIKeyOUUFUSQJZBIRMC-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.97
Rot. Bonds6

About N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide

N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide (PubChem CID 43161175) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide
PubChem CID43161175
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)CC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3S/c1-2-7-20(18,19)16-10-5-3-9(4-6-10)11(17)8-12(13,14)15/h3-6,16H,2,7-8H2,1H3
InChIKeyOUUFUSQJZBIRMC-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113436723
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N-(4-benzoylphenyl)butane-1-sulfonamide
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N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
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N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide (CID 43161175) is N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C(=O)CC(F)(F)F)cc1.
What is the InChIKey of N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide?
The InChIKey is OUUFUSQJZBIRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-2-7-20(18,19)16-10-5-3-9(4-6-10)11(17)8-12(13,14)15/h3-6,16H,2,7-8H2,1H3.
What are the key properties of N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide?
N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 43161175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).