3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride

C10H11ClF3NO3S2 — CID 79807441

IUPAC3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)N(C)CCC(F)(F)F)csc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClF3NO3S2/c1-6-7(5-19-9(6)20(11,17)18)8(16)15(2)4-3-10(12,13)14/h5H,3-4H2,1-2H3
InChIKeyPJSVGPPQCITQCJ-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.01
Rot. Bonds4

About 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride

3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride (PubChem CID 79807441) has the molecular formula C10H11ClF3NO3S2 and a molecular weight of 349.78 g/mol. Its IUPAC name is 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride
PubChem CID79807441
Molecular FormulaC10H11ClF3NO3S2
Molecular Weight349.78 g/mol
Exact Mass348.98
IUPAC Name3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)N(C)CCC(F)(F)F)csc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClF3NO3S2/c1-6-7(5-19-9(6)20(11,17)18)8(16)15(2)4-3-10(12,13)14/h5H,3-4H2,1-2H3
InChIKeyPJSVGPPQCITQCJ-UHFFFAOYSA-N
XLogP3.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride (CID 79807441) is 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride is Cc1c(C(=O)N(C)CCC(F)(F)F)csc1S(=O)(=O)Cl.
What is the InChIKey of 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride?
The InChIKey is PJSVGPPQCITQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO3S2/c1-6-7(5-19-9(6)20(11,17)18)8(16)15(2)4-3-10(12,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride?
3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride has a molecular weight of 349.78 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 79807441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).