2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid

C17H15N3O4S — CID 167835860

IUPAC2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C17H15N3O4S/c21-17(22)12-19-25(23,24)16-8-4-14(5-9-16)13-2-6-15(7-3-13)20-11-1-10-18-20/h1-11,19H,12H2,(H,21,22)
InChIKeyVELWCIKFLAQJJV-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.90
Rot. Bonds6

About 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid

2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid (PubChem CID 167835860) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
PubChem CID167835860
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C17H15N3O4S/c21-17(22)12-19-25(23,24)16-8-4-14(5-9-16)13-2-6-15(7-3-13)20-11-1-10-18-20/h1-11,19H,12H2,(H,21,22)
InChIKeyVELWCIKFLAQJJV-UHFFFAOYSA-N
XLogP1.90
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
CID 110454054
(4-pyrazol-1-ylphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605961
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 26425964
tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate
CID 58292272
4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 126851727
N-(5-hydroxy-3-thiophen-2-ylpentyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 126854033
2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151
2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid
CID 110454056
3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid
CID 110454171
N-[3-[(4-pyrazol-1-ylphenyl)sulfonylamino]phenyl]acetamide
CID 45494447
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid (CID 167835860) is 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(-c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid?
The InChIKey is VELWCIKFLAQJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-17(22)12-19-25(23,24)16-8-4-14(5-9-16)13-2-6-15(7-3-13)20-11-1-10-18-20/h1-11,19H,12H2,(H,21,22).
What are the key properties of 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid?
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid has a molecular weight of 357.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 167835860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).