2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C11H8ClFN2O4S2 — CID 43361125

IUPAC2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H8ClFN2O4S2/c12-8-3-6(13)1-2-9(8)21(18,19)15-11-14-7(5-20-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyBJNCQEXRMVQYTH-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 43361125) has the molecular formula C11H8ClFN2O4S2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID43361125
Molecular FormulaC11H8ClFN2O4S2
Molecular Weight350.78 g/mol
Exact Mass349.96
IUPAC Name2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H8ClFN2O4S2/c12-8-3-6(13)1-2-9(8)21(18,19)15-11-14-7(5-20-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyBJNCQEXRMVQYTH-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 43361125) is 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is BJNCQEXRMVQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O4S2/c12-8-3-6(13)1-2-9(8)21(18,19)15-11-14-7(5-20-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 350.78 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43361125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).