5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid

C17H11F3N2O4S2 — CID 10137405

IUPAC5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H11F3N2O4S2/c18-17(19,20)11-6-7-14(21-9-11)28(25,26)22-12-8-13(27-15(12)16(23)24)10-4-2-1-3-5-10/h1-9,22H,(H,23,24)
InChIKeyPOQLKLBEPAFHSO-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.33
Rot. Bonds5

About 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid

5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 10137405) has the molecular formula C17H11F3N2O4S2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid
PubChem CID10137405
Molecular FormulaC17H11F3N2O4S2
Molecular Weight428.41 g/mol
Exact Mass428.01
IUPAC Name5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H11F3N2O4S2/c18-17(19,20)11-6-7-14(21-9-11)28(25,26)22-12-8-13(27-15(12)16(23)24)10-4-2-1-3-5-10/h1-9,22H,(H,23,24)
InChIKeyPOQLKLBEPAFHSO-UHFFFAOYSA-N
XLogP4.33
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid (CID 10137405) is 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid is O=C(O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is POQLKLBEPAFHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4S2/c18-17(19,20)11-6-7-14(21-9-11)28(25,26)22-12-8-13(27-15(12)16(23)24)10-4-2-1-3-5-10/h1-9,22H,(H,23,24).
What are the key properties of 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid?
5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 428.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 10137405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).