2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C13H8F2N2O2S3 — CID 8603548

IUPAC2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1c(F)cccc1F
InChIInChI=1S/C13H8F2N2O2S3/c14-8-3-1-4-9(15)12(8)22(18,19)17-13-16-10(7-21-13)11-5-2-6-20-11/h1-7H,(H,16,17)
InChIKeyRDYKUXNYJPEICI-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.95
Rot. Bonds4

About 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 8603548) has the molecular formula C13H8F2N2O2S3 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID8603548
Molecular FormulaC13H8F2N2O2S3
Molecular Weight358.42 g/mol
Exact Mass357.97
IUPAC Name2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1c(F)cccc1F
InChIInChI=1S/C13H8F2N2O2S3/c14-8-3-1-4-9(15)12(8)22(18,19)17-13-16-10(7-21-13)11-5-2-6-20-11/h1-7H,(H,16,17)
InChIKeyRDYKUXNYJPEICI-UHFFFAOYSA-N
XLogP3.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 8603548) is 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cccs2)cs1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is RDYKUXNYJPEICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S3/c14-8-3-1-4-9(15)12(8)22(18,19)17-13-16-10(7-21-13)11-5-2-6-20-11/h1-7H,(H,16,17).
What are the key properties of 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 8603548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).