(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid

C15H14ClNO4S — CID 51715390

IUPAC(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C15H14ClNO4S/c1-10(15(18)19)17-22(20,21)14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10,17H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyOCNYVNAQYAVYKH-SNVBAGLBSA-N
MW339.80 g/mol
LogP2.76
Rot. Bonds5

About (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid

(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid (PubChem CID 51715390) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
PubChem CID51715390
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C15H14ClNO4S/c1-10(15(18)19)17-22(20,21)14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10,17H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyOCNYVNAQYAVYKH-SNVBAGLBSA-N
XLogP2.76
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
(2S)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 142835559
(2S)-2-[[4-(4-hydroxysulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 163865049
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid
CID 59898512
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid
CID 89012126
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid (CID 51715390) is (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is OCNYVNAQYAVYKH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-10(15(18)19)17-22(20,21)14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10,17H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid?
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 339.80 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 51715390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).