5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride

C9H9ClF3NO3S2 — CID 43097912

IUPAC5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(CC(F)(F)F)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H9ClF3NO3S2/c10-19(16,17)8-2-1-6(18-8)3-4-14-7(15)5-9(11,12)13/h1-2H,3-5H2,(H,14,15)
InChIKeyAYLVZCAPUGCGFT-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.29
Rot. Bonds5

About 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride

5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 43097912) has the molecular formula C9H9ClF3NO3S2 and a molecular weight of 335.76 g/mol. Its IUPAC name is 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID43097912
Molecular FormulaC9H9ClF3NO3S2
Molecular Weight335.76 g/mol
Exact Mass334.97
IUPAC Name5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(CC(F)(F)F)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H9ClF3NO3S2/c10-19(16,17)8-2-1-6(18-8)3-4-14-7(15)5-9(11,12)13/h1-2H,3-5H2,(H,14,15)
InChIKeyAYLVZCAPUGCGFT-UHFFFAOYSA-N
XLogP2.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]acetamide
CID 22581612
N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]-2-methylpropanamide
CID 22581613
N-((5-sulfamoylthiophen-2-yl)methyl)acetamide
CID 16792798
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133893
N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068796
N-[2-[5-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068801
N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 51108780
2,2,2-trifluoro-N-[2-(thiophen-2-yl)ethyl]acetamide
CID 57130484
5-(2-(2,2-Dimethylpropanamido)ethyl)thiophene-2-sulfonyl chloride
CID 24688786
5-[2-(3-Methylbutanamido)ethyl]thiophene-2-sulfonyl chloride
CID 24688936
5-(1-Acetamidoethyl)thiophene-2-sulfonyl chloride
CID 24689365
methyl N-(2-(5-(chlorosulfonyl)thiophen-2-yl)ethyl)carbamate
CID 75524953

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride (CID 43097912) is 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride is O=C(CC(F)(F)F)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is AYLVZCAPUGCGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3S2/c10-19(16,17)8-2-1-6(18-8)3-4-14-7(15)5-9(11,12)13/h1-2H,3-5H2,(H,14,15).
What are the key properties of 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 335.76 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,3,3-trifluoropropanoylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 43097912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).