1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide

C6H4Br2F3NO2S2 — CID 102846190

IUPAC1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(c1cc(Br)c(Br)s1)C(F)(F)F
InChIInChI=1S/C6H4Br2F3NO2S2/c7-2-1-3(15-5(2)8)4(6(9,10)11)16(12,13)14/h1,4H,(H2,12,13,14)
InChIKeyJUOYNSWYMSHBBZ-UHFFFAOYSA-N
MW403.04 g/mol
LogP3.16
Rot. Bonds2

About 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide

1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 102846190) has the molecular formula C6H4Br2F3NO2S2 and a molecular weight of 403.04 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide
PubChem CID102846190
Molecular FormulaC6H4Br2F3NO2S2
Molecular Weight403.04 g/mol
Exact Mass400.80
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(c1cc(Br)c(Br)s1)C(F)(F)F
InChIInChI=1S/C6H4Br2F3NO2S2/c7-2-1-3(15-5(2)8)4(6(9,10)11)16(12,13)14/h1,4H,(H2,12,13,14)
InChIKeyJUOYNSWYMSHBBZ-UHFFFAOYSA-N
XLogP3.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.04
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide 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 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide (CID 102846190) is 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide is NS(=O)(=O)C(c1cc(Br)c(Br)s1)C(F)(F)F.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is JUOYNSWYMSHBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2F3NO2S2/c7-2-1-3(15-5(2)8)4(6(9,10)11)16(12,13)14/h1,4H,(H2,12,13,14).
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide?
1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 403.04 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 102846190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).