5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

C8H9BrF3NO2S2 — CID 79940880

IUPAC5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(F)(F)F)sc1Br
InChIInChI=1S/C8H9BrF3NO2S2/c1-5-4-6(16-7(5)9)17(14,15)13-3-2-8(10,11)12/h4,13H,2-3H2,1H3
InChIKeyVZOQGIIVOVXERA-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (PubChem CID 79940880) has the molecular formula C8H9BrF3NO2S2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
PubChem CID79940880
Molecular FormulaC8H9BrF3NO2S2
Molecular Weight352.20 g/mol
Exact Mass350.92
IUPAC Name5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC(F)(F)F)sc1Br
InChIInChI=1S/C8H9BrF3NO2S2/c1-5-4-6(16-7(5)9)17(14,15)13-3-2-8(10,11)12/h4,13H,2-3H2,1H3
InChIKeyVZOQGIIVOVXERA-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (CID 79940880) is 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCC(F)(F)F)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The InChIKey is VZOQGIIVOVXERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NO2S2/c1-5-4-6(16-7(5)9)17(14,15)13-3-2-8(10,11)12/h4,13H,2-3H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide has a molecular weight of 352.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79940880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).