5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid

C15H17NO4S2 — CID 56797695

IUPAC5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESCCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C15H17NO4S2/c1-4-16(13-6-10(2)5-11(3)7-13)22(19,20)14-8-12(9-21-14)15(17)18/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyQFRWEFZNKRNOJX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.28
Rot. Bonds5

About 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid

5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 56797695) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID56797695
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESCCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C15H17NO4S2/c1-4-16(13-6-10(2)5-11(3)7-13)22(19,20)14-8-12(9-21-14)15(17)18/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyQFRWEFZNKRNOJX-UHFFFAOYSA-N
XLogP3.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid (CID 56797695) is 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid is CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is QFRWEFZNKRNOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-4-16(13-6-10(2)5-11(3)7-13)22(19,20)14-8-12(9-21-14)15(17)18/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid?
5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenyl)-ethylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 56797695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).