1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one

C14H16F3NO3S — CID 75530187

IUPAC1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(C(C)C)C2C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3S/c1-8(2)11-12(14(15,16)17)18(13(11)19)22(20,21)10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3
InChIKeyOSYFXJVICJODQZ-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one

1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one (PubChem CID 75530187) has the molecular formula C14H16F3NO3S and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one
PubChem CID75530187
Molecular FormulaC14H16F3NO3S
Molecular Weight335.35 g/mol
Exact Mass335.08
IUPAC Name1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(C(C)C)C2C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3S/c1-8(2)11-12(14(15,16)17)18(13(11)19)22(20,21)10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3
InChIKeyOSYFXJVICJODQZ-UHFFFAOYSA-N
XLogP2.73
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one (CID 75530187) is 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)C(C(C)C)C2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is OSYFXJVICJODQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3S/c1-8(2)11-12(14(15,16)17)18(13(11)19)22(20,21)10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one?
1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 335.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-propan-2-yl-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 75530187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).