4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid

C10H12F3NO5S2 — CID 102748802

IUPAC4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H12F3NO5S2/c1-6-4-20-7(9(15)16)8(6)21(17,18)14-2-3-19-5-10(11,12)13/h4,14H,2-3,5H2,1H3,(H,15,16)
InChIKeyDUJWHNISTJEHOT-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.61
Rot. Bonds7

About 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102748802) has the molecular formula C10H12F3NO5S2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID102748802
Molecular FormulaC10H12F3NO5S2
Molecular Weight347.34 g/mol
Exact Mass347.01
IUPAC Name4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H12F3NO5S2/c1-6-4-20-7(9(15)16)8(6)21(17,18)14-2-3-19-5-10(11,12)13/h4,14H,2-3,5H2,1H3,(H,15,16)
InChIKeyDUJWHNISTJEHOT-UHFFFAOYSA-N
XLogP1.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 164641840
Propyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 17887701
Ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434574
3-Methyl-5-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 43314502
3-Methyl-5-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 55175525
3-(3,3,3-Trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 55175526
3-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 60729250
4-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61072977
4-(3,3,3-Trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
5-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 63828387
3-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 63828566
5-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 63829097

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 102748802) is 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is DUJWHNISTJEHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO5S2/c1-6-4-20-7(9(15)16)8(6)21(17,18)14-2-3-19-5-10(11,12)13/h4,14H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 347.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102748802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).