(3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione

C19H20N2O5S — CID 56835168

IUPAC(3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione
SMILESCC(C)[C@@H]1C(=O)N(O)C(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
InChIKeyJVBFGGAYMSJQBZ-GOSISDBHSA-N
MW388.45 g/mol
LogP2.13
Rot. Bonds4

About (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione

(3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione (PubChem CID 56835168) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione.

Molecular Properties

Compound Name(3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione
PubChem CID56835168
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name(3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione
SMILESCC(C)[C@@H]1C(=O)N(O)C(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
InChIKeyJVBFGGAYMSJQBZ-GOSISDBHSA-N
XLogP2.13
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 44596287
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CID 44291532
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CID 45380190
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CID 73292709
CID 73292709
CID 285263
CID 285263
CID 3874660
CID 3874660
CID 9936228
CID 9936228
CID 24868315
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CID 44389560
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CID 44609100
CID 44609100

Frequently Asked Questions

What is the IUPAC name of (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione?
The IUPAC name of (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione (CID 56835168) is (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione.
What is the SMILES notation for (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione?
The canonical SMILES for (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione is CC(C)[C@@H]1C(=O)N(O)C(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione?
The InChIKey is JVBFGGAYMSJQBZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione?
(3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione has a molecular weight of 388.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione is sourced from PubChem (CID 56835168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).