2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C13H8F2N2O2S3 — CID 9237178

IUPAC2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1cc(F)ccc1F
InChIInChI=1S/C13H8F2N2O2S3/c14-8-3-4-9(15)12(6-8)22(18,19)17-13-16-10(7-21-13)11-2-1-5-20-11/h1-7H,(H,16,17)
InChIKeyVNMXSBRQOZFBMI-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.95
Rot. Bonds4

About 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 9237178) has the molecular formula C13H8F2N2O2S3 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID9237178
Molecular FormulaC13H8F2N2O2S3
Molecular Weight358.42 g/mol
Exact Mass357.97
IUPAC Name2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1cc(F)ccc1F
InChIInChI=1S/C13H8F2N2O2S3/c14-8-3-4-9(15)12(6-8)22(18,19)17-13-16-10(7-21-13)11-2-1-5-20-11/h1-7H,(H,16,17)
InChIKeyVNMXSBRQOZFBMI-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 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 9237178) is 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VNMXSBRQOZFBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S3/c14-8-3-4-9(15)12(6-8)22(18,19)17-13-16-10(7-21-13)11-2-1-5-20-11/h1-7H,(H,16,17).
What are the key properties of 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
2,5-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 2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 9237178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).