5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride

C10H9ClF3NO3S2 — CID 106219408

IUPAC5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(Cc1ccc(S(=O)(=O)Cl)s1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H9ClF3NO3S2/c11-20(17,18)8-2-1-6(19-8)5-7(16)15-9(3-4-9)10(12,13)14/h1-2H,3-5H2,(H,15,16)
InChIKeyNJSCCGZTTLYNDB-UHFFFAOYSA-N
MW347.77 g/mol
LogP2.43
Rot. Bonds4

About 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride

5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 106219408) has the molecular formula C10H9ClF3NO3S2 and a molecular weight of 347.77 g/mol. Its IUPAC name is 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID106219408
Molecular FormulaC10H9ClF3NO3S2
Molecular Weight347.77 g/mol
Exact Mass346.97
IUPAC Name5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(Cc1ccc(S(=O)(=O)Cl)s1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H9ClF3NO3S2/c11-20(17,18)8-2-1-6(19-8)5-7(16)15-9(3-4-9)10(12,13)14/h1-2H,3-5H2,(H,15,16)
InChIKeyNJSCCGZTTLYNDB-UHFFFAOYSA-N
XLogP2.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride (CID 106219408) is 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride is O=C(Cc1ccc(S(=O)(=O)Cl)s1)NC1(C(F)(F)F)CC1.
What is the InChIKey of 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is NJSCCGZTTLYNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3S2/c11-20(17,18)8-2-1-6(19-8)5-7(16)15-9(3-4-9)10(12,13)14/h1-2H,3-5H2,(H,15,16).
What are the key properties of 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride?
5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 347.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 106219408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).