4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid

C14H15N3O5S — CID 154743695

IUPAC4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C14H15N3O5S/c18-14(19)10-1-3-11(4-2-10)16-23(20,21)13-7-15-17(8-13)12-5-6-22-9-12/h1-4,7-8,12,16H,5-6,9H2,(H,18,19)
InChIKeyXHWDWSFMHPLOCA-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.34
Rot. Bonds5

About 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid

4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid (PubChem CID 154743695) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid
PubChem CID154743695
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C14H15N3O5S/c18-14(19)10-1-3-11(4-2-10)16-23(20,21)13-7-15-17(8-13)12-5-6-22-9-12/h1-4,7-8,12,16H,5-6,9H2,(H,18,19)
InChIKeyXHWDWSFMHPLOCA-UHFFFAOYSA-N
XLogP1.34
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid (CID 154743695) is 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cnn(C3CCOC3)c2)cc1.
What is the InChIKey of 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid?
The InChIKey is XHWDWSFMHPLOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c18-14(19)10-1-3-11(4-2-10)16-23(20,21)13-7-15-17(8-13)12-5-6-22-9-12/h1-4,7-8,12,16H,5-6,9H2,(H,18,19).
What are the key properties of 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid?
4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid has a molecular weight of 337.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid is sourced from PubChem (CID 154743695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).