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

C11H13ClF3NO3S2 — CID 65372919

IUPAC5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCC(C)N(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H13ClF3NO3S2/c1-7(2)16(6-11(13,14)15)9(17)5-8-3-4-10(20-8)21(12,18)19/h3-4,7H,5-6H2,1-2H3
InChIKeyVYVPBALSPCVQED-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.02
Rot. Bonds5

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

5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 65372919) has the molecular formula C11H13ClF3NO3S2 and a molecular weight of 363.81 g/mol. Its IUPAC name is 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID65372919
Molecular FormulaC11H13ClF3NO3S2
Molecular Weight363.81 g/mol
Exact Mass363.00
IUPAC Name5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCC(C)N(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H13ClF3NO3S2/c1-7(2)16(6-11(13,14)15)9(17)5-8-3-4-10(20-8)21(12,18)19/h3-4,7H,5-6H2,1-2H3
InChIKeyVYVPBALSPCVQED-UHFFFAOYSA-N
XLogP3.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

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
N-(cyclopropylmethyl)-N-propyl-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 47331732
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
5-[1-(3,3,3-Trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43097519
5-[2-(3,3,3-Trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43097912
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51154153

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride (CID 65372919) is 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride is CC(C)N(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is VYVPBALSPCVQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO3S2/c1-7(2)16(6-11(13,14)15)9(17)5-8-3-4-10(20-8)21(12,18)19/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 363.81 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65372919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).