methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate

C13H10F3NO4S2 — CID 8823207

IUPACmethyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO4S2/c1-21-12(18)11-10(6-7-22-11)17-23(19,20)9-4-2-8(3-5-9)13(14,15)16/h2-7,17H,1H3
InChIKeySCECTCQJFIHHFI-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.35
Rot. Bonds4

About methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate

methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate (PubChem CID 8823207) has the molecular formula C13H10F3NO4S2 and a molecular weight of 365.35 g/mol. Its IUPAC name is methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate
PubChem CID8823207
Molecular FormulaC13H10F3NO4S2
Molecular Weight365.35 g/mol
Exact Mass365.00
IUPAC Namemethyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO4S2/c1-21-12(18)11-10(6-7-22-11)17-23(19,20)9-4-2-8(3-5-9)13(14,15)16/h2-7,17H,1H3
InChIKeySCECTCQJFIHHFI-UHFFFAOYSA-N
XLogP3.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate (CID 8823207) is methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate?
The InChIKey is SCECTCQJFIHHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4S2/c1-21-12(18)11-10(6-7-22-11)17-23(19,20)9-4-2-8(3-5-9)13(14,15)16/h2-7,17H,1H3.
What are the key properties of methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate?
methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate has a molecular weight of 365.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 8823207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).