(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid

C9H11ClN2O5S — CID 104934121

IUPAC(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)[C@@H](O)CCNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O5S/c10-8-7(2-1-4-11-8)18(16,17)12-5-3-6(13)9(14)15/h1-2,4,6,12-13H,3,5H2,(H,14,15)/t6-/m0/s1
InChIKeyQWQPSOAMTNRGNY-LURJTMIESA-N
MW294.72 g/mol
LogP-0.15
Rot. Bonds6

About (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid

(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid (PubChem CID 104934121) has the molecular formula C9H11ClN2O5S and a molecular weight of 294.72 g/mol. Its IUPAC name is (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
PubChem CID104934121
Molecular FormulaC9H11ClN2O5S
Molecular Weight294.72 g/mol
Exact Mass294.01
IUPAC Name(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)[C@@H](O)CCNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O5S/c10-8-7(2-1-4-11-8)18(16,17)12-5-3-6(13)9(14)15/h1-2,4,6,12-13H,3,5H2,(H,14,15)/t6-/m0/s1
InChIKeyQWQPSOAMTNRGNY-LURJTMIESA-N
XLogP-0.15
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid (CID 104934121) is (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid is O=C(O)[C@@H](O)CCNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid?
The InChIKey is QWQPSOAMTNRGNY-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClN2O5S/c10-8-7(2-1-4-11-8)18(16,17)12-5-3-6(13)9(14)15/h1-2,4,6,12-13H,3,5H2,(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid?
(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid has a molecular weight of 294.72 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 104934121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).