2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid

C13H12N2O4S — CID 110454054

IUPAC2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C13H12N2O4S/c16-13(17)9-15-20(18,19)12-3-1-10(2-4-12)11-5-7-14-8-6-11/h1-8,15H,9H2,(H,16,17)
InChIKeyCRLVFHMLZLECII-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.11
Rot. Bonds5

About 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid

2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid (PubChem CID 110454054) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
PubChem CID110454054
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C13H12N2O4S/c16-13(17)9-15-20(18,19)12-3-1-10(2-4-12)11-5-7-14-8-6-11/h1-8,15H,9H2,(H,16,17)
InChIKeyCRLVFHMLZLECII-UHFFFAOYSA-N
XLogP1.11
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid
CID 110454171
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
CID 167835860
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid
CID 110454056
N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
CID 110454140
2-[[4-(2-phenylethynyl)phenyl]sulfonylamino]acetic acid
CID 67588445
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
2-[[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfonylamino]acetic acid
CID 142094910
2-[(4-butanoylphenyl)sulfonylamino]acetic acid
CID 82164610
2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid
CID 169454184

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid (CID 110454054) is 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid?
The InChIKey is CRLVFHMLZLECII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-13(17)9-15-20(18,19)12-3-1-10(2-4-12)11-5-7-14-8-6-11/h1-8,15H,9H2,(H,16,17).
What are the key properties of 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid?
2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid has a molecular weight of 292.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 110454054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).