5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride

C11H13ClF3NO3S2 — CID 65370442

IUPAC5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCCCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H13ClF3NO3S2/c1-2-5-16(7-11(13,14)15)9(17)6-8-3-4-10(20-8)21(12,18)19/h3-4H,2,5-7H2,1H3
InChIKeyQWLBUPYZCATEAB-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.02
Rot. Bonds6

About 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride

5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 65370442) has the molecular formula C11H13ClF3NO3S2 and a molecular weight of 363.81 g/mol. Its IUPAC name is 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID65370442
Molecular FormulaC11H13ClF3NO3S2
Molecular Weight363.81 g/mol
Exact Mass363.00
IUPAC Name5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCCCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H13ClF3NO3S2/c1-2-5-16(7-11(13,14)15)9(17)6-8-3-4-10(20-8)21(12,18)19/h3-4H,2,5-7H2,1H3
InChIKeyQWLBUPYZCATEAB-UHFFFAOYSA-N
XLogP3.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride (CID 65370442) is 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride is CCCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is QWLBUPYZCATEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO3S2/c1-2-5-16(7-11(13,14)15)9(17)6-8-3-4-10(20-8)21(12,18)19/h3-4H,2,5-7H2,1H3.
What are the key properties of 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 363.81 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65370442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).