2-[(4-phenylphenyl)sulfonylamino]acetate

C14H12NO4S- — CID 6953151

IUPAC2-[(4-phenylphenyl)sulfonylamino]acetate
SMILESO=C([O-])CNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)/p-1
InChIKeyZIAFXLGSGMQYPL-UHFFFAOYSA-M
MW290.32 g/mol
LogP0.38
Rot. Bonds5

About 2-[(4-phenylphenyl)sulfonylamino]acetate

2-[(4-phenylphenyl)sulfonylamino]acetate (PubChem CID 6953151) has the molecular formula C14H12NO4S- and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[(4-phenylphenyl)sulfonylamino]acetate
PubChem CID6953151
Molecular FormulaC14H12NO4S-
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name2-[(4-phenylphenyl)sulfonylamino]acetate
SMILESO=C([O-])CNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)/p-1
InChIKeyZIAFXLGSGMQYPL-UHFFFAOYSA-M
XLogP0.38
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
CID 101344553
CID 101344553
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
CID 110454054
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid
CID 110454056
[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69029468
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)sulfonylamino]acetate?
The IUPAC name of 2-[(4-phenylphenyl)sulfonylamino]acetate (CID 6953151) is 2-[(4-phenylphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[(4-phenylphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[(4-phenylphenyl)sulfonylamino]acetate is O=C([O-])CNS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)sulfonylamino]acetate?
The InChIKey is ZIAFXLGSGMQYPL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)/p-1.
What are the key properties of 2-[(4-phenylphenyl)sulfonylamino]acetate?
2-[(4-phenylphenyl)sulfonylamino]acetate has a molecular weight of 290.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 6953151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).