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

C8H7ClF3NO3S2 — CID 61000711

IUPAC5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO3S2/c9-18(15,16)6-2-1-5(17-6)3-4-13-7(14)8(10,11)12/h1-2H,3-4H2,(H,13,14)
InChIKeyBOBXJTHWWLOPEP-UHFFFAOYSA-N
MW321.73 g/mol
LogP1.90
Rot. Bonds4

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

5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 61000711) has the molecular formula C8H7ClF3NO3S2 and a molecular weight of 321.73 g/mol. Its IUPAC name is 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID61000711
Molecular FormulaC8H7ClF3NO3S2
Molecular Weight321.73 g/mol
Exact Mass320.95
IUPAC Name5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO3S2/c9-18(15,16)6-2-1-5(17-6)3-4-13-7(14)8(10,11)12/h1-2H,3-4H2,(H,13,14)
InChIKeyBOBXJTHWWLOPEP-UHFFFAOYSA-N
XLogP1.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride (CID 61000711) is 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)s1)C(F)(F)F.
What is the InChIKey of 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is BOBXJTHWWLOPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO3S2/c9-18(15,16)6-2-1-5(17-6)3-4-13-7(14)8(10,11)12/h1-2H,3-4H2,(H,13,14).
What are the key properties of 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 321.73 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 61000711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).