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

C13H10F3NO4S2 — CID 51115487

IUPAC3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)sc1C(=O)O
InChIInChI=1S/C13H10F3NO4S2/c1-7-6-10(22-11(7)12(18)19)23(20,21)17-9-4-2-8(3-5-9)13(14,15)16/h2-6,17H,1H3,(H,18,19)
InChIKeyVZKDENVPVTXWJE-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.57
Rot. Bonds4

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

3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 51115487) has the molecular formula C13H10F3NO4S2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID51115487
Molecular FormulaC13H10F3NO4S2
Molecular Weight365.35 g/mol
Exact Mass365.00
IUPAC Name3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)sc1C(=O)O
InChIInChI=1S/C13H10F3NO4S2/c1-7-6-10(22-11(7)12(18)19)23(20,21)17-9-4-2-8(3-5-9)13(14,15)16/h2-6,17H,1H3,(H,18,19)
InChIKeyVZKDENVPVTXWJE-UHFFFAOYSA-N
XLogP3.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.57
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-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid (CID 51115487) is 3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VZKDENVPVTXWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4S2/c1-7-6-10(22-11(7)12(18)19)23(20,21)17-9-4-2-8(3-5-9)13(14,15)16/h2-6,17H,1H3,(H,18,19).
What are the key properties of 3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[[4-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 365.35 g/mol, XLogP of 3.57, 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-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 51115487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).