3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide

C17H14N2O2S2 — CID 90751890

IUPAC3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1sccc1S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H14N2O2S2/c18-17(19)16-15(10-11-22-16)23(20,21)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H3,18,19)
InChIKeyJIOISLBRZMUURL-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.53
Rot. Bonds4

About 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide

3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide (PubChem CID 90751890) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide.

Molecular Properties

Compound Name3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide
PubChem CID90751890
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC Name3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1sccc1S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H14N2O2S2/c18-17(19)16-15(10-11-22-16)23(20,21)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H3,18,19)
InChIKeyJIOISLBRZMUURL-UHFFFAOYSA-N
XLogP3.53
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide?
The IUPAC name of 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide (CID 90751890) is 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide.
What is the SMILES notation for 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide?
The canonical SMILES for 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide is [H]/N=C(\N)c1sccc1S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide?
The InChIKey is JIOISLBRZMUURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c18-17(19)16-15(10-11-22-16)23(20,21)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H3,18,19).
What are the key properties of 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide?
3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide has a molecular weight of 342.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenyl)sulfonylthiophene-2-carboximidamide is sourced from PubChem (CID 90751890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).