2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide

C10H7Cl2FN2O2S2 — CID 43415361

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H7Cl2FN2O2S2/c1-5-9(18-10(12)14-5)19(16,17)15-6-2-3-8(13)7(11)4-6/h2-4,15H,1H3
InChIKeyDYOUSXGMCCBJGB-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.70
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43415361) has the molecular formula C10H7Cl2FN2O2S2 and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43415361
Molecular FormulaC10H7Cl2FN2O2S2
Molecular Weight341.22 g/mol
Exact Mass339.93
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H7Cl2FN2O2S2/c1-5-9(18-10(12)14-5)19(16,17)15-6-2-3-8(13)7(11)4-6/h2-4,15H,1H3
InChIKeyDYOUSXGMCCBJGB-UHFFFAOYSA-N
XLogP3.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43415361) is 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DYOUSXGMCCBJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2O2S2/c1-5-9(18-10(12)14-5)19(16,17)15-6-2-3-8(13)7(11)4-6/h2-4,15H,1H3.
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 341.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43415361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).