2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride

C11H13ClF3NO4S — CID 65370624

IUPAC2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C11H13ClF3NO4S/c1-3-4-16(6-11(13,14)15)10(17)8-5-9(7(2)20-8)21(12,18)19/h5H,3-4,6H2,1-2H3
InChIKeyCNVUREGKVMOGDO-UHFFFAOYSA-N
MW347.74 g/mol
LogP2.93
Rot. Bonds5

About 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride

2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride (PubChem CID 65370624) has the molecular formula C11H13ClF3NO4S and a molecular weight of 347.74 g/mol. Its IUPAC name is 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride
PubChem CID65370624
Molecular FormulaC11H13ClF3NO4S
Molecular Weight347.74 g/mol
Exact Mass347.02
IUPAC Name2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C11H13ClF3NO4S/c1-3-4-16(6-11(13,14)15)10(17)8-5-9(7(2)20-8)21(12,18)19/h5H,3-4,6H2,1-2H3
InChIKeyCNVUREGKVMOGDO-UHFFFAOYSA-N
XLogP2.93
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride (CID 65370624) is 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride is CCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1.
What is the InChIKey of 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride?
The InChIKey is CNVUREGKVMOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO4S/c1-3-4-16(6-11(13,14)15)10(17)8-5-9(7(2)20-8)21(12,18)19/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride?
2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride has a molecular weight of 347.74 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride is sourced from PubChem (CID 65370624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).