5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid

C8H8F3NO4S2 — CID 63328152

IUPAC5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H8F3NO4S2/c1-4-6(2-5(17-4)7(13)14)18(15,16)12-3-8(9,10)11/h2,12H,3H2,1H3,(H,13,14)
InChIKeyAOEIGMNDHZWWTM-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.60
Rot. Bonds4

About 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid

5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 63328152) has the molecular formula C8H8F3NO4S2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID63328152
Molecular FormulaC8H8F3NO4S2
Molecular Weight303.28 g/mol
Exact Mass302.98
IUPAC Name5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H8F3NO4S2/c1-4-6(2-5(17-4)7(13)14)18(15,16)12-3-8(9,10)11/h2,12H,3H2,1H3,(H,13,14)
InChIKeyAOEIGMNDHZWWTM-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106275781
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 29043972
5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464
4-(3-ethylsulfanylpropylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 114247853

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid (CID 63328152) is 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is AOEIGMNDHZWWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4S2/c1-4-6(2-5(17-4)7(13)14)18(15,16)12-3-8(9,10)11/h2,12H,3H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 303.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63328152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).