(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid

C15H15NO4S — CID 701923

IUPAC(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(19,20)16-14(15(17)18)12-5-3-2-4-6-12/h2-10,14,16H,1H3,(H,17,18)/t14-/m1/s1
InChIKeyLIZVXGBYTGTTTI-CQSZACIVSA-N
MW305.36 g/mol
LogP2.10
Rot. Bonds5

About (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid

(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 701923) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID701923
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(19,20)16-14(15(17)18)12-5-3-2-4-6-12/h2-10,14,16H,1H3,(H,17,18)/t14-/m1/s1
InChIKeyLIZVXGBYTGTTTI-CQSZACIVSA-N
XLogP2.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid (CID 701923) is (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid is Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is LIZVXGBYTGTTTI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(19,20)16-14(15(17)18)12-5-3-2-4-6-12/h2-10,14,16H,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid?
(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 701923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).