2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide

C11H9Cl2FN2O2S2 — CID 99793690

IUPAC2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)sc1C
InChIInChI=1S/C11H9Cl2FN2O2S2/c1-5-6(2)19-11(15-5)16-20(17,18)8-4-3-7(12)10(14)9(8)13/h3-4H,1-2H3,(H,15,16)
InChIKeyBWYQTQOYHOGSNR-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.01
Rot. Bonds3

About 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide

2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 99793690) has the molecular formula C11H9Cl2FN2O2S2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
PubChem CID99793690
Molecular FormulaC11H9Cl2FN2O2S2
Molecular Weight355.24 g/mol
Exact Mass353.95
IUPAC Name2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)sc1C
InChIInChI=1S/C11H9Cl2FN2O2S2/c1-5-6(2)19-11(15-5)16-20(17,18)8-4-3-7(12)10(14)9(8)13/h3-4H,1-2H3,(H,15,16)
InChIKeyBWYQTQOYHOGSNR-UHFFFAOYSA-N
XLogP4.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.01
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-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide (CID 99793690) is 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)sc1C.
What is the InChIKey of 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is BWYQTQOYHOGSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O2S2/c1-5-6(2)19-11(15-5)16-20(17,18)8-4-3-7(12)10(14)9(8)13/h3-4H,1-2H3,(H,15,16).
What are the key properties of 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 355.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 99793690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).