1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide

C11H14F3NO3S — CID 101229348

IUPAC1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide
SMILESC=C(C)CCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-8(2)6-7-15(10-5-4-9(3)18-10)19(16,17)11(12,13)14/h4-5H,1,6-7H2,2-3H3
InChIKeySGWNOBJEMVKJCQ-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.21
Rot. Bonds5

About 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide (PubChem CID 101229348) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide
PubChem CID101229348
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide
SMILESC=C(C)CCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-8(2)6-7-15(10-5-4-9(3)18-10)19(16,17)11(12,13)14/h4-5H,1,6-7H2,2-3H3
InChIKeySGWNOBJEMVKJCQ-UHFFFAOYSA-N
XLogP3.21
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide (CID 101229348) is 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide is C=C(C)CCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide?
The InChIKey is SGWNOBJEMVKJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-8(2)6-7-15(10-5-4-9(3)18-10)19(16,17)11(12,13)14/h4-5H,1,6-7H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide is sourced from PubChem (CID 101229348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).