5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid

C10H9N3O5S2 — CID 3013042

IUPAC5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCS(=O)(=O)Nc1nc(-c2cccs2)nc(C(=O)O)c1O
InChIInChI=1S/C10H9N3O5S2/c1-20(17,18)13-9-7(14)6(10(15)16)11-8(12-9)5-3-2-4-19-5/h2-4,14H,1H3,(H,15,16)(H,11,12,13)
InChIKeyQHSKVENTQHKWKM-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.98
Rot. Bonds4

About 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid

5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 3013042) has the molecular formula C10H9N3O5S2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID3013042
Molecular FormulaC10H9N3O5S2
Molecular Weight315.33 g/mol
Exact Mass315.00
IUPAC Name5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCS(=O)(=O)Nc1nc(-c2cccs2)nc(C(=O)O)c1O
InChIInChI=1S/C10H9N3O5S2/c1-20(17,18)13-9-7(14)6(10(15)16)11-8(12-9)5-3-2-4-19-5/h2-4,14H,1H3,(H,15,16)(H,11,12,13)
InChIKeyQHSKVENTQHKWKM-UHFFFAOYSA-N
XLogP0.98
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 3013042) is 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid is CS(=O)(=O)Nc1nc(-c2cccs2)nc(C(=O)O)c1O.
What is the InChIKey of 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is QHSKVENTQHKWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5S2/c1-20(17,18)13-9-7(14)6(10(15)16)11-8(12-9)5-3-2-4-19-5/h2-4,14H,1H3,(H,15,16)(H,11,12,13).
What are the key properties of 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(methanesulfonamido)-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 3013042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).