5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid

C11H10N4O6S — CID 130406586

IUPAC5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccnn2C(=O)O)ccc1O
InChIInChI=1S/C11H10N4O6S/c12-10(17)7-5-6(1-2-8(7)16)22(20,21)14-9-3-4-13-15(9)11(18)19/h1-5,14,16H,(H2,12,17)(H,18,19)
InChIKeyXLNDAQSAHSWKDC-UHFFFAOYSA-N
MW326.29 g/mol
LogP0.01
Rot. Bonds4

About 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid

5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid (PubChem CID 130406586) has the molecular formula C11H10N4O6S and a molecular weight of 326.29 g/mol. Its IUPAC name is 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid
PubChem CID130406586
Molecular FormulaC11H10N4O6S
Molecular Weight326.29 g/mol
Exact Mass326.03
IUPAC Name5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccnn2C(=O)O)ccc1O
InChIInChI=1S/C11H10N4O6S/c12-10(17)7-5-6(1-2-8(7)16)22(20,21)14-9-3-4-13-15(9)11(18)19/h1-5,14,16H,(H2,12,17)(H,18,19)
InChIKeyXLNDAQSAHSWKDC-UHFFFAOYSA-N
XLogP0.01
TPSA164.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid?
The IUPAC name of 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid (CID 130406586) is 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid.
What is the SMILES notation for 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid?
The canonical SMILES for 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid is NC(=O)c1cc(S(=O)(=O)Nc2ccnn2C(=O)O)ccc1O.
What is the InChIKey of 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid?
The InChIKey is XLNDAQSAHSWKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O6S/c12-10(17)7-5-6(1-2-8(7)16)22(20,21)14-9-3-4-13-15(9)11(18)19/h1-5,14,16H,(H2,12,17)(H,18,19).
What are the key properties of 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid?
5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid has a molecular weight of 326.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid is sourced from PubChem (CID 130406586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).