(2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid

C17H19NO5S — CID 24901478

IUPAC(2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C17H19NO5S/c1-11(2)16(17(20)21)18-24(22,23)15-9-5-13(6-10-15)12-3-7-14(19)8-4-12/h3-11,16,18-19H,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyPQTZCOOFMGZHKK-MRXNPFEDSA-N
MW349.41 g/mol
LogP2.45
Rot. Bonds6

About (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid

(2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid (PubChem CID 24901478) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
PubChem CID24901478
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name(2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C17H19NO5S/c1-11(2)16(17(20)21)18-24(22,23)15-9-5-13(6-10-15)12-3-7-14(19)8-4-12/h3-11,16,18-19H,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyPQTZCOOFMGZHKK-MRXNPFEDSA-N
XLogP2.45
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid (CID 24901478) is (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid?
The InChIKey is PQTZCOOFMGZHKK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-11(2)16(17(20)21)18-24(22,23)15-9-5-13(6-10-15)12-3-7-14(19)8-4-12/h3-11,16,18-19H,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid has a molecular weight of 349.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 24901478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).