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

C7H5BrF3NO4S2 — CID 43362550

IUPAC5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)(F)F)c(Br)s1
InChIInChI=1S/C7H5BrF3NO4S2/c8-5-4(1-3(17-5)6(13)14)18(15,16)12-2-7(9,10)11/h1,12H,2H2,(H,13,14)
InChIKeyNFRQKUMZQUAHPD-UHFFFAOYSA-N
MW368.15 g/mol
LogP2.05
Rot. Bonds4

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

5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43362550) has the molecular formula C7H5BrF3NO4S2 and a molecular weight of 368.15 g/mol. Its IUPAC name is 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43362550
Molecular FormulaC7H5BrF3NO4S2
Molecular Weight368.15 g/mol
Exact Mass366.88
IUPAC Name5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)(F)F)c(Br)s1
InChIInChI=1S/C7H5BrF3NO4S2/c8-5-4(1-3(17-5)6(13)14)18(15,16)12-2-7(9,10)11/h1,12H,2H2,(H,13,14)
InChIKeyNFRQKUMZQUAHPD-UHFFFAOYSA-N
XLogP2.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid (CID 43362550) is 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC(F)(F)F)c(Br)s1.
What is the InChIKey of 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is NFRQKUMZQUAHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO4S2/c8-5-4(1-3(17-5)6(13)14)18(15,16)12-2-7(9,10)11/h1,12H,2H2,(H,13,14).
What are the key properties of 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid?
5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 368.15 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43362550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).