4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid

C9H10F3NO4S2 — CID 102748737

IUPAC4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C9H10F3NO4S2/c1-5-4-18-6(8(14)15)7(5)19(16,17)13-3-2-9(10,11)12/h4,13H,2-3H2,1H3,(H,14,15)
InChIKeyAKYKKDAWPSGOHG-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.99
Rot. Bonds5

About 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid

4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 102748737) has the molecular formula C9H10F3NO4S2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID102748737
Molecular FormulaC9H10F3NO4S2
Molecular Weight317.31 g/mol
Exact Mass317.00
IUPAC Name4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C9H10F3NO4S2/c1-5-4-18-6(8(14)15)7(5)19(16,17)13-3-2-9(10,11)12/h4,13H,2-3H2,1H3,(H,14,15)
InChIKeyAKYKKDAWPSGOHG-UHFFFAOYSA-N
XLogP1.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminosulfonyl)-5-methyl-3-thiophenecarboxylic acid
CID 139597506
4-[(Tert-butylamino)sulfonyl]-2-thiophenecarboxylic acid
CID 42562023
3-(2,2,2-Trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 43164789
3-Methyl-5-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 43314502
3-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54942014
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55149641
3-Methyl-5-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 55175525
3-(3,3,3-Trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 55175526
5-(3,3,3-Trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 55175722
4-(2,2,2-Trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
3-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 60729250
3-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60762907

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid (CID 102748737) is 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is AKYKKDAWPSGOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S2/c1-5-4-18-6(8(14)15)7(5)19(16,17)13-3-2-9(10,11)12/h4,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid?
4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 317.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 102748737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).