2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C10H7Cl2FN2O2S2 — CID 86819092

IUPAC2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nccs1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H7Cl2FN2O2S2/c11-6-1-2-7(9(12)10(6)13)19(16,17)15-5-8-14-3-4-18-8/h1-4,15H,5H2
InChIKeyHGLLNPLMJVNCQT-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.07
Rot. Bonds4

About 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 86819092) has the molecular formula C10H7Cl2FN2O2S2 and a molecular weight of 341.22 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID86819092
Molecular FormulaC10H7Cl2FN2O2S2
Molecular Weight341.22 g/mol
Exact Mass339.93
IUPAC Name2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nccs1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H7Cl2FN2O2S2/c11-6-1-2-7(9(12)10(6)13)19(16,17)15-5-8-14-3-4-18-8/h1-4,15H,5H2
InChIKeyHGLLNPLMJVNCQT-UHFFFAOYSA-N
XLogP3.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 86819092) is 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1nccs1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is HGLLNPLMJVNCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2O2S2/c11-6-1-2-7(9(12)10(6)13)19(16,17)15-5-8-14-3-4-18-8/h1-4,15H,5H2.
What are the key properties of 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 341.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 86819092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).