1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide

C11H12F3NO4S — CID 46702645

IUPAC1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(c2ccccc2)OCCO1)C(F)(F)F
InChIInChI=1S/C11H12F3NO4S/c12-11(13,14)20(16,17)15-8-10(18-6-7-19-10)9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKeyDEEJPPLKQDDYEN-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.33
Rot. Bonds4

About 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide

1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide (PubChem CID 46702645) has the molecular formula C11H12F3NO4S and a molecular weight of 311.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide
PubChem CID46702645
Molecular FormulaC11H12F3NO4S
Molecular Weight311.28 g/mol
Exact Mass311.04
IUPAC Name1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(c2ccccc2)OCCO1)C(F)(F)F
InChIInChI=1S/C11H12F3NO4S/c12-11(13,14)20(16,17)15-8-10(18-6-7-19-10)9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKeyDEEJPPLKQDDYEN-UHFFFAOYSA-N
XLogP1.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide (CID 46702645) is 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide is O=S(=O)(NCC1(c2ccccc2)OCCO1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide?
The InChIKey is DEEJPPLKQDDYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4S/c12-11(13,14)20(16,17)15-8-10(18-6-7-19-10)9-4-2-1-3-5-9/h1-5,15H,6-8H2.
What are the key properties of 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide has a molecular weight of 311.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(2-phenyl-1,3-dioxolan-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 46702645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).