2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide

C16H13F4NO4S — CID 55810917

IUPAC2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13F4NO4S/c1-10(26(23,24)14-8-2-11(17)3-9-14)15(22)21-12-4-6-13(7-5-12)25-16(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyQSWYRGAKKXSBSJ-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 55810917) has the molecular formula C16H13F4NO4S and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID55810917
Molecular FormulaC16H13F4NO4S
Molecular Weight391.34 g/mol
Exact Mass391.05
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13F4NO4S/c1-10(26(23,24)14-8-2-11(17)3-9-14)15(22)21-12-4-6-13(7-5-12)25-16(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyQSWYRGAKKXSBSJ-UHFFFAOYSA-N
XLogP3.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
CID 51925783
(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 129397345
2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 55811495
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 49168885
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 55810917) is 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is QSWYRGAKKXSBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO4S/c1-10(26(23,24)14-8-2-11(17)3-9-14)15(22)21-12-4-6-13(7-5-12)25-16(18,19)20/h2-10H,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 391.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 55810917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).