5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride

C10H11ClF3NO4S — CID 65372727

IUPAC5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
SMILESCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C10H11ClF3NO4S/c1-3-15(5-10(12,13)14)9(16)7-4-8(6(2)19-7)20(11,17)18/h4H,3,5H2,1-2H3
InChIKeyKXZGFDCWBMNJJI-UHFFFAOYSA-N
MW333.72 g/mol
LogP2.54
Rot. Bonds4

About 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride

5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride (PubChem CID 65372727) has the molecular formula C10H11ClF3NO4S and a molecular weight of 333.72 g/mol. Its IUPAC name is 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
PubChem CID65372727
Molecular FormulaC10H11ClF3NO4S
Molecular Weight333.72 g/mol
Exact Mass333.00
IUPAC Name5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
SMILESCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C10H11ClF3NO4S/c1-3-15(5-10(12,13)14)9(16)7-4-8(6(2)19-7)20(11,17)18/h4H,3,5H2,1-2H3
InChIKeyKXZGFDCWBMNJJI-UHFFFAOYSA-N
XLogP2.54
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride (CID 65372727) is 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride.
What is the SMILES notation for 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The canonical SMILES for 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride is CCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1.
What is the InChIKey of 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The InChIKey is KXZGFDCWBMNJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO4S/c1-3-15(5-10(12,13)14)9(16)7-4-8(6(2)19-7)20(11,17)18/h4H,3,5H2,1-2H3.
What are the key properties of 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride has a molecular weight of 333.72 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride is sourced from PubChem (CID 65372727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).