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

C8H8BrF4NO2S2 — CID 103577907

IUPAC5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8BrF4NO2S2/c1-4-5(2-6(9)17-4)18(15,16)14-3-8(12,13)7(10)11/h2,7,14H,3H2,1H3
InChIKeyJBTAEQALLSRELU-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.00
Rot. Bonds5

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

5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide (PubChem CID 103577907) has the molecular formula C8H8BrF4NO2S2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide
PubChem CID103577907
Molecular FormulaC8H8BrF4NO2S2
Molecular Weight370.19 g/mol
Exact Mass368.91
IUPAC Name5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8BrF4NO2S2/c1-4-5(2-6(9)17-4)18(15,16)14-3-8(12,13)7(10)11/h2,7,14H,3H2,1H3
InChIKeyJBTAEQALLSRELU-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide (CID 103577907) is 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide?
The InChIKey is JBTAEQALLSRELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF4NO2S2/c1-4-5(2-6(9)17-4)18(15,16)14-3-8(12,13)7(10)11/h2,7,14H,3H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide has a molecular weight of 370.19 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 103577907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).