2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid

C11H8ClFN2O4S2 — CID 66379522

IUPAC2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNS(=O)(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H8ClFN2O4S2/c12-7-3-6(13)1-2-9(7)21(18,19)14-4-10-15-8(5-20-10)11(16)17/h1-3,5,14H,4H2,(H,16,17)
InChIKeyLHUBZNZLIPWSNX-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.11
Rot. Bonds5

About 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66379522) has the molecular formula C11H8ClFN2O4S2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66379522
Molecular FormulaC11H8ClFN2O4S2
Molecular Weight350.78 g/mol
Exact Mass349.96
IUPAC Name2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNS(=O)(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H8ClFN2O4S2/c12-7-3-6(13)1-2-9(7)21(18,19)14-4-10-15-8(5-20-10)11(16)17/h1-3,5,14H,4H2,(H,16,17)
InChIKeyLHUBZNZLIPWSNX-UHFFFAOYSA-N
XLogP2.11
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379328
6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643790
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379320
2-[[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 71915478
3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 79177671
2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81264880
2-[[(3-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379524
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-[[(3-fluorophenyl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381509
4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 82482171

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66379522) is 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNS(=O)(=O)c2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LHUBZNZLIPWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O4S2/c12-7-3-6(13)1-2-9(7)21(18,19)14-4-10-15-8(5-20-10)11(16)17/h1-3,5,14H,4H2,(H,16,17).
What are the key properties of 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 350.78 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66379522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).