5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid

C10H8N2O4S2 — CID 86567348

IUPAC5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H8N2O4S2/c13-10(14)8-9(17-6-11-8)12-18(15,16)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)
InChIKeyXOXXLROXAKZQOM-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.64
Rot. Bonds4

About 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid

5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid (PubChem CID 86567348) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid
PubChem CID86567348
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC Name5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H8N2O4S2/c13-10(14)8-9(17-6-11-8)12-18(15,16)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)
InChIKeyXOXXLROXAKZQOM-UHFFFAOYSA-N
XLogP1.64
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid (CID 86567348) is 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XOXXLROXAKZQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c13-10(14)8-9(17-6-11-8)12-18(15,16)7-4-2-1-3-5-7/h1-6,12H,(H,13,14).
What are the key properties of 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid?
5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86567348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).