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

C8H9BrF3NO2S2 — CID 61384481

IUPAC3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C8H9BrF3NO2S2/c1-13(4-3-8(10,11)12)17(14,15)7-6(9)2-5-16-7/h2,5H,3-4H2,1H3
InChIKeyHPEMZTFMJDQWHF-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.08
Rot. Bonds4

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

3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (PubChem CID 61384481) has the molecular formula C8H9BrF3NO2S2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
PubChem CID61384481
Molecular FormulaC8H9BrF3NO2S2
Molecular Weight352.20 g/mol
Exact Mass350.92
IUPAC Name3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C8H9BrF3NO2S2/c1-13(4-3-8(10,11)12)17(14,15)7-6(9)2-5-16-7/h2,5H,3-4H2,1H3
InChIKeyHPEMZTFMJDQWHF-UHFFFAOYSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide (CID 61384481) is 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
The InChIKey is HPEMZTFMJDQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NO2S2/c1-13(4-3-8(10,11)12)17(14,15)7-6(9)2-5-16-7/h2,5H,3-4H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide?
3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide has a molecular weight of 352.20 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61384481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).