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

C9H9ClF3NO3S2 — CID 65371912

IUPAC5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride
SMILESCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H9ClF3NO3S2/c1-14(5-9(11,12)13)7(15)4-6-2-3-8(18-6)19(10,16)17/h2-3H,4-5H2,1H3
InChIKeyUJPHQIBOIRLQNZ-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.24
Rot. Bonds4

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

5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride (PubChem CID 65371912) has the molecular formula C9H9ClF3NO3S2 and a molecular weight of 335.76 g/mol. Its IUPAC name is 5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride
PubChem CID65371912
Molecular FormulaC9H9ClF3NO3S2
Molecular Weight335.76 g/mol
Exact Mass334.97
IUPAC Name5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride
SMILESCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H9ClF3NO3S2/c1-14(5-9(11,12)13)7(15)4-6-2-3-8(18-6)19(10,16)17/h2-3H,4-5H2,1H3
InChIKeyUJPHQIBOIRLQNZ-UHFFFAOYSA-N
XLogP2.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.24
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-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride (CID 65371912) is 5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride is CN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride?
The InChIKey is UJPHQIBOIRLQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3S2/c1-14(5-9(11,12)13)7(15)4-6-2-3-8(18-6)19(10,16)17/h2-3H,4-5H2,1H3.
What are the key properties of 5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride?
5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride has a molecular weight of 335.76 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65371912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).