5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide

C7H8BrF2NO2S2 — CID 79941112

IUPAC5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(F)F)sc1Br
InChIInChI=1S/C7H8BrF2NO2S2/c1-4-2-6(14-7(4)8)15(12,13)11-3-5(9)10/h2,5,11H,3H2,1H3
InChIKeyGNDPPOSPERCNHL-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.36
Rot. Bonds4

About 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79941112) has the molecular formula C7H8BrF2NO2S2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide
PubChem CID79941112
Molecular FormulaC7H8BrF2NO2S2
Molecular Weight320.18 g/mol
Exact Mass318.91
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(F)F)sc1Br
InChIInChI=1S/C7H8BrF2NO2S2/c1-4-2-6(14-7(4)8)15(12,13)11-3-5(9)10/h2,5,11H,3H2,1H3
InChIKeyGNDPPOSPERCNHL-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide (CID 79941112) is 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC(F)F)sc1Br.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is GNDPPOSPERCNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2NO2S2/c1-4-2-6(14-7(4)8)15(12,13)11-3-5(9)10/h2,5,11H,3H2,1H3.
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 320.18 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79941112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).