(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid

C21H18ClNO4S — CID 25263183

IUPAC(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClNO4S/c22-18-10-6-16(7-11-18)17-8-12-19(13-9-17)28(26,27)23-20(21(24)25)14-15-4-2-1-3-5-15/h1-13,20,23H,14H2,(H,24,25)/t20-/m1/s1
InChIKeyTXFOUFDGVNFIGH-HXUWFJFHSA-N
MW415.90 g/mol
LogP3.98
Rot. Bonds7

About (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid

(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid (PubChem CID 25263183) has the molecular formula C21H18ClNO4S and a molecular weight of 415.90 g/mol. Its IUPAC name is (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid
PubChem CID25263183
Molecular FormulaC21H18ClNO4S
Molecular Weight415.90 g/mol
Exact Mass415.06
IUPAC Name(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClNO4S/c22-18-10-6-16(7-11-18)17-8-12-19(13-9-17)28(26,27)23-20(21(24)25)14-15-4-2-1-3-5-15/h1-13,20,23H,14H2,(H,24,25)/t20-/m1/s1
InChIKeyTXFOUFDGVNFIGH-HXUWFJFHSA-N
XLogP3.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid (CID 25263183) is (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is TXFOUFDGVNFIGH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18ClNO4S/c22-18-10-6-16(7-11-18)17-8-12-19(13-9-17)28(26,27)23-20(21(24)25)14-15-4-2-1-3-5-15/h1-13,20,23H,14H2,(H,24,25)/t20-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid?
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 415.90 g/mol, XLogP of 3.98, 7 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]-3-phenylpropanoic acid is sourced from PubChem (CID 25263183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).