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

C10H11ClF3NO3S2 — CID 65372549

IUPAC5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride
SMILESCCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H11ClF3NO3S2/c1-2-15(6-10(12,13)14)8(16)5-7-3-4-9(19-7)20(11,17)18/h3-4H,2,5-6H2,1H3
InChIKeyPMOPLYKKXGLDHJ-UHFFFAOYSA-N
MW349.78 g/mol
LogP2.63
Rot. Bonds5

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

5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride (PubChem CID 65372549) has the molecular formula C10H11ClF3NO3S2 and a molecular weight of 349.78 g/mol. Its IUPAC name is 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride
PubChem CID65372549
Molecular FormulaC10H11ClF3NO3S2
Molecular Weight349.78 g/mol
Exact Mass348.98
IUPAC Name5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride
SMILESCCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H11ClF3NO3S2/c1-2-15(6-10(12,13)14)8(16)5-7-3-4-9(19-7)20(11,17)18/h3-4H,2,5-6H2,1H3
InChIKeyPMOPLYKKXGLDHJ-UHFFFAOYSA-N
XLogP2.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(2-thienyl)acetamide
CID 669955
N,N-dimethyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2386427
1-(4-(Methylsulfonyl)piperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 71805647
1-(3-(Cyclohexylsulfonyl)azetidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 76148693
N-(cyclopropylmethyl)-N-propyl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 47331732
N-(2,2-difluoroethyl)-3-(difluoromethylsulfonyl)-N-propylthiophene-2-carboxamide
CID 56783718
N-ethyl-N-(1-methylsulfonylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 72016778
1-[(7S)-1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl]-3,3,3-trifluoropropan-1-one
CID 129357978
N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide
CID 11806571
5-[2-(2,2,2-Trifluoroacetamido)ethyl]thiophene-2-sulfonyl chloride
CID 61000711
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 37266996
2-(5-sulfamoylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 40205257

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride (CID 65372549) is 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride is CCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride?
The InChIKey is PMOPLYKKXGLDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO3S2/c1-2-15(6-10(12,13)14)8(16)5-7-3-4-9(19-7)20(11,17)18/h3-4H,2,5-6H2,1H3.
What are the key properties of 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride?
5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride has a molecular weight of 349.78 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65372549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).