5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide

C7H8BrF2NO2S2 — CID 115611946

IUPAC5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrF2NO2S2/c1-11(4-6(9)10)15(12,13)7-3-2-5(8)14-7/h2-3,6H,4H2,1H3
InChIKeySQYXCVGAXGCKEZ-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.40
Rot. Bonds4

About 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide

5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 115611946) has the molecular formula C7H8BrF2NO2S2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
PubChem CID115611946
Molecular FormulaC7H8BrF2NO2S2
Molecular Weight320.18 g/mol
Exact Mass318.91
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrF2NO2S2/c1-11(4-6(9)10)15(12,13)7-3-2-5(8)14-7/h2-3,6H,4H2,1H3
InChIKeySQYXCVGAXGCKEZ-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-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-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide (CID 115611946) is 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide is CN(CC(F)F)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is SQYXCVGAXGCKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2NO2S2/c1-11(4-6(9)10)15(12,13)7-3-2-5(8)14-7/h2-3,6H,4H2,1H3.
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide?
5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 320.18 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 115611946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).