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

C8H8ClF2NO3S2 — CID 103513538

IUPAC5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C(F)F
InChIInChI=1S/C8H8ClF2NO3S2/c9-17(14,15)6-2-1-5(16-6)3-4-12-8(13)7(10)11/h1-2,7H,3-4H2,(H,12,13)
InChIKeyJKCOPDSPBFPTOJ-UHFFFAOYSA-N
MW303.74 g/mol
LogP1.60
Rot. Bonds5

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

5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 103513538) has the molecular formula C8H8ClF2NO3S2 and a molecular weight of 303.74 g/mol. Its IUPAC name is 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID103513538
Molecular FormulaC8H8ClF2NO3S2
Molecular Weight303.74 g/mol
Exact Mass302.96
IUPAC Name5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C(F)F
InChIInChI=1S/C8H8ClF2NO3S2/c9-17(14,15)6-2-1-5(16-6)3-4-12-8(13)7(10)11/h1-2,7H,3-4H2,(H,12,13)
InChIKeyJKCOPDSPBFPTOJ-UHFFFAOYSA-N
XLogP1.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 51.60
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-((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-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068797
N-[2-[5-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068798
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride (CID 103513538) is 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)s1)C(F)F.
What is the InChIKey of 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is JKCOPDSPBFPTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO3S2/c9-17(14,15)6-2-1-5(16-6)3-4-12-8(13)7(10)11/h1-2,7H,3-4H2,(H,12,13).
What are the key properties of 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 303.74 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2,2-difluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 103513538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).