3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid

C14H12F3NO4S2 — CID 51121366

IUPAC3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3NO4S2/c1-7-3-4-9(6-10(7)14(15,16)17)18-24(21,22)11-5-8(2)12(23-11)13(19)20/h3-6,18H,1-2H3,(H,19,20)
InChIKeyUKQTVMBVNFMITN-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.88
Rot. Bonds4

About 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 51121366) has the molecular formula C14H12F3NO4S2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID51121366
Molecular FormulaC14H12F3NO4S2
Molecular Weight379.38 g/mol
Exact Mass379.02
IUPAC Name3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3NO4S2/c1-7-3-4-9(6-10(7)14(15,16)17)18-24(21,22)11-5-8(2)12(23-11)13(19)20/h3-6,18H,1-2H3,(H,19,20)
InChIKeyUKQTVMBVNFMITN-UHFFFAOYSA-N
XLogP3.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid (CID 51121366) is 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid is Cc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1C(F)(F)F.
What is the InChIKey of 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is UKQTVMBVNFMITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S2/c1-7-3-4-9(6-10(7)14(15,16)17)18-24(21,22)11-5-8(2)12(23-11)13(19)20/h3-6,18H,1-2H3,(H,19,20).
What are the key properties of 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 379.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 51121366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).