5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid

C7H7F2NO4S2 — CID 28606790

IUPAC5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)C(F)F)sc1C(=O)O
InChIInChI=1S/C7H7F2NO4S2/c1-3-2-4(15-5(3)6(11)12)10-16(13,14)7(8)9/h2,7,10H,1H3,(H,11,12)
InChIKeyDYMDXGKRJQPZMZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.72
Rot. Bonds4

About 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid

5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid (PubChem CID 28606790) has the molecular formula C7H7F2NO4S2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid
PubChem CID28606790
Molecular FormulaC7H7F2NO4S2
Molecular Weight271.27 g/mol
Exact Mass270.98
IUPAC Name5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)C(F)F)sc1C(=O)O
InChIInChI=1S/C7H7F2NO4S2/c1-3-2-4(15-5(3)6(11)12)10-16(13,14)7(8)9/h2,7,10H,1H3,(H,11,12)
InChIKeyDYMDXGKRJQPZMZ-UHFFFAOYSA-N
XLogP1.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid (CID 28606790) is 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)C(F)F)sc1C(=O)O.
What is the InChIKey of 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid?
The InChIKey is DYMDXGKRJQPZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO4S2/c1-3-2-4(15-5(3)6(11)12)10-16(13,14)7(8)9/h2,7,10H,1H3,(H,11,12).
What are the key properties of 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid?
5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonylamino)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 28606790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).