5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide

C7H7BrF3NO3S2 — CID 82714354

IUPAC5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C7H7BrF3NO3S2/c1-4-5(2-6(8)16-4)17(13,14)12-15-3-7(9,10)11/h2,12H,3H2,1H3
InChIKeyGOWJMDFXSLDRQM-UHFFFAOYSA-N
MW354.17 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide (PubChem CID 82714354) has the molecular formula C7H7BrF3NO3S2 and a molecular weight of 354.17 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
PubChem CID82714354
Molecular FormulaC7H7BrF3NO3S2
Molecular Weight354.17 g/mol
Exact Mass352.90
IUPAC Name5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C7H7BrF3NO3S2/c1-4-5(2-6(8)16-4)17(13,14)12-15-3-7(9,10)11/h2,12H,3H2,1H3
InChIKeyGOWJMDFXSLDRQM-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 52.59
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-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide (CID 82714354) is 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NOCC(F)(F)F.
What is the InChIKey of 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide?
The InChIKey is GOWJMDFXSLDRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3NO3S2/c1-4-5(2-6(8)16-4)17(13,14)12-15-3-7(9,10)11/h2,12H,3H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide has a molecular weight of 354.17 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide is sourced from PubChem (CID 82714354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).