5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid

C10H6Cl2N2O4S2 — CID 86566877

IUPAC5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H6Cl2N2O4S2/c11-5-2-1-3-6(12)8(5)20(17,18)14-9-7(10(15)16)13-4-19-9/h1-4,14H,(H,15,16)
InChIKeyXPQBDDSKRNKDHI-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.95
Rot. Bonds4

About 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86566877) has the molecular formula C10H6Cl2N2O4S2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86566877
Molecular FormulaC10H6Cl2N2O4S2
Molecular Weight353.21 g/mol
Exact Mass351.91
IUPAC Name5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H6Cl2N2O4S2/c11-5-2-1-3-6(12)8(5)20(17,18)14-9-7(10(15)16)13-4-19-9/h1-4,14H,(H,15,16)
InChIKeyXPQBDDSKRNKDHI-UHFFFAOYSA-N
XLogP2.95
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 86566877) is 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XPQBDDSKRNKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O4S2/c11-5-2-1-3-6(12)8(5)20(17,18)14-9-7(10(15)16)13-4-19-9/h1-4,14H,(H,15,16).
What are the key properties of 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 353.21 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86566877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).