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

C11H10ClFN2O2S2 — CID 110759323

IUPAC3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)c(Cl)c2)sc1C
InChIInChI=1S/C11H10ClFN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)8-3-4-10(13)9(12)5-8/h3-5H,1-2H3,(H,14,15)
InChIKeyULDVPTIHLJAKIQ-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.35
Rot. Bonds3

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

3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 110759323) has the molecular formula C11H10ClFN2O2S2 and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
PubChem CID110759323
Molecular FormulaC11H10ClFN2O2S2
Molecular Weight320.80 g/mol
Exact Mass319.99
IUPAC Name3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)c(Cl)c2)sc1C
InChIInChI=1S/C11H10ClFN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)8-3-4-10(13)9(12)5-8/h3-5H,1-2H3,(H,14,15)
InChIKeyULDVPTIHLJAKIQ-UHFFFAOYSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide (CID 110759323) is 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)c(Cl)c2)sc1C.
What is the InChIKey of 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is ULDVPTIHLJAKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)8-3-4-10(13)9(12)5-8/h3-5H,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110759323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).