5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid

C13H13NO4S2 — CID 43475054

IUPAC5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C13H13NO4S2/c1-2-9-3-5-10(6-4-9)20(17,18)14-12-8-7-11(19-12)13(15)16/h3-8,14H,2H2,1H3,(H,15,16)
InChIKeyRMPIAZCTKVDPRB-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.81
Rot. Bonds5

About 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid

5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 43475054) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID43475054
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C13H13NO4S2/c1-2-9-3-5-10(6-4-9)20(17,18)14-12-8-7-11(19-12)13(15)16/h3-8,14H,2H2,1H3,(H,15,16)
InChIKeyRMPIAZCTKVDPRB-UHFFFAOYSA-N
XLogP2.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 43475054) is 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid is CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is RMPIAZCTKVDPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c1-2-9-3-5-10(6-4-9)20(17,18)14-12-8-7-11(19-12)13(15)16/h3-8,14H,2H2,1H3,(H,15,16).
What are the key properties of 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43475054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).