5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide

C7H8F3NO3S2 — CID 82714349

IUPAC5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C7H8F3NO3S2/c1-5-2-3-6(15-5)16(12,13)11-14-4-7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyVHBXKMNIDWKSLD-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.83
Rot. Bonds4

About 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide

5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide (PubChem CID 82714349) has the molecular formula C7H8F3NO3S2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide
PubChem CID82714349
Molecular FormulaC7H8F3NO3S2
Molecular Weight275.27 g/mol
Exact Mass274.99
IUPAC Name5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NOCC(F)(F)F)s1
InChIInChI=1S/C7H8F3NO3S2/c1-5-2-3-6(15-5)16(12,13)11-14-4-7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyVHBXKMNIDWKSLD-UHFFFAOYSA-N
XLogP1.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide (CID 82714349) is 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NOCC(F)(F)F)s1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide?
The InChIKey is VHBXKMNIDWKSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3S2/c1-5-2-3-6(15-5)16(12,13)11-14-4-7(8,9)10/h2-3,11H,4H2,1H3.
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide?
5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide has a molecular weight of 275.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 82714349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).