2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide

C11H9ClF5NO3S — CID 143750302

IUPAC2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)C(F)(CC(F)(F)F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H9ClF5NO3S/c12-7-2-1-6(3-8(7)13)10(14,5-11(15,16)17)22(20,21)4-9(18)19/h1-3H,4-5H2,(H2,18,19)
InChIKeyLSPNMDLUCJMUKD-UHFFFAOYSA-N
MW365.71 g/mol
LogP2.45
Rot. Bonds5

About 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide

2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide (PubChem CID 143750302) has the molecular formula C11H9ClF5NO3S and a molecular weight of 365.71 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide
PubChem CID143750302
Molecular FormulaC11H9ClF5NO3S
Molecular Weight365.71 g/mol
Exact Mass364.99
IUPAC Name2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)C(F)(CC(F)(F)F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H9ClF5NO3S/c12-7-2-1-6(3-8(7)13)10(14,5-11(15,16)17)22(20,21)4-9(18)19/h1-3H,4-5H2,(H2,18,19)
InChIKeyLSPNMDLUCJMUKD-UHFFFAOYSA-N
XLogP2.45
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide?
The IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide (CID 143750302) is 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide.
What is the SMILES notation for 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide?
The canonical SMILES for 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide is NC(=O)CS(=O)(=O)C(F)(CC(F)(F)F)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide?
The InChIKey is LSPNMDLUCJMUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF5NO3S/c12-7-2-1-6(3-8(7)13)10(14,5-11(15,16)17)22(20,21)4-9(18)19/h1-3H,4-5H2,(H2,18,19).
What are the key properties of 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide?
2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide has a molecular weight of 365.71 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-fluorophenyl)-1,3,3,3-tetrafluoropropyl]sulfonylacetamide is sourced from PubChem (CID 143750302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).