5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide

C16H11F3N2O3S3 — CID 2807878

IUPAC5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O3S3/c17-16(18,19)10-1-3-11(4-2-10)27(23,24)21-12-7-13(9-5-6-25-8-9)26-14(12)15(20)22/h1-8,21H,(H2,20,22)
InChIKeyBQZOJRKIOQHISH-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.40
Rot. Bonds5

About 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide

5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide (PubChem CID 2807878) has the molecular formula C16H11F3N2O3S3 and a molecular weight of 432.47 g/mol. Its IUPAC name is 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
PubChem CID2807878
Molecular FormulaC16H11F3N2O3S3
Molecular Weight432.47 g/mol
Exact Mass431.99
IUPAC Name5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O3S3/c17-16(18,19)10-1-3-11(4-2-10)27(23,24)21-12-7-13(9-5-6-25-8-9)26-14(12)15(20)22/h1-8,21H,(H2,20,22)
InChIKeyBQZOJRKIOQHISH-UHFFFAOYSA-N
XLogP4.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide (CID 2807878) is 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide is NC(=O)c1sc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide?
The InChIKey is BQZOJRKIOQHISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S3/c17-16(18,19)10-1-3-11(4-2-10)27(23,24)21-12-7-13(9-5-6-25-8-9)26-14(12)15(20)22/h1-8,21H,(H2,20,22).
What are the key properties of 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide?
5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 2807878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).