1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide

C7H7BrF3NO2S2 — CID 102846191

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCc1sc(C(C(F)(F)F)S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7BrF3NO2S2/c1-3-4(8)2-5(15-3)6(7(9,10)11)16(12,13)14/h2,6H,1H3,(H2,12,13,14)
InChIKeySBQYOHRUBSNIRJ-UHFFFAOYSA-N
MW338.17 g/mol
LogP2.71
Rot. Bonds2

About 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide

1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 102846191) has the molecular formula C7H7BrF3NO2S2 and a molecular weight of 338.17 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide
PubChem CID102846191
Molecular FormulaC7H7BrF3NO2S2
Molecular Weight338.17 g/mol
Exact Mass336.91
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCc1sc(C(C(F)(F)F)S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7BrF3NO2S2/c1-3-4(8)2-5(15-3)6(7(9,10)11)16(12,13)14/h2,6H,1H3,(H2,12,13,14)
InChIKeySBQYOHRUBSNIRJ-UHFFFAOYSA-N
XLogP2.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide (CID 102846191) is 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide is Cc1sc(C(C(F)(F)F)S(N)(=O)=O)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is SBQYOHRUBSNIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3NO2S2/c1-3-4(8)2-5(15-3)6(7(9,10)11)16(12,13)14/h2,6H,1H3,(H2,12,13,14).
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide?
1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 338.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 102846191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).