[1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate

C16H13N3O4S — CID 67646421

IUPAC[1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate
SMILESNS(=O)(=O)c1ccc(-n2cc(OC(=O)c3ccccc3)cn2)cc1
InChIInChI=1S/C16H13N3O4S/c17-24(21,22)15-8-6-13(7-9-15)19-11-14(10-18-19)23-16(20)12-4-2-1-3-5-12/h1-11H,(H2,17,21,22)
InChIKeyXQHGMFCWBVUCDN-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.74
Rot. Bonds4

About [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate

[1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate (PubChem CID 67646421) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate.

Molecular Properties

Compound Name[1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate
PubChem CID67646421
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name[1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate
SMILESNS(=O)(=O)c1ccc(-n2cc(OC(=O)c3ccccc3)cn2)cc1
InChIInChI=1S/C16H13N3O4S/c17-24(21,22)15-8-6-13(7-9-15)19-11-14(10-18-19)23-16(20)12-4-2-1-3-5-12/h1-11H,(H2,17,21,22)
InChIKeyXQHGMFCWBVUCDN-UHFFFAOYSA-N
XLogP1.74
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate?
The IUPAC name of [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate (CID 67646421) is [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate.
What is the SMILES notation for [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate?
The canonical SMILES for [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate is NS(=O)(=O)c1ccc(-n2cc(OC(=O)c3ccccc3)cn2)cc1.
What is the InChIKey of [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate?
The InChIKey is XQHGMFCWBVUCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c17-24(21,22)15-8-6-13(7-9-15)19-11-14(10-18-19)23-16(20)12-4-2-1-3-5-12/h1-11H,(H2,17,21,22).
What are the key properties of [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate?
[1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate has a molecular weight of 343.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-sulfamoylphenyl)pyrazol-4-yl] benzoate is sourced from PubChem (CID 67646421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).