(2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide

C14H19ClN2O4S — CID 99718392

IUPAC(2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide
SMILESC[C@@H](C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1)C1CCOCC1
InChIInChI=1S/C14H19ClN2O4S/c1-10(12-4-6-21-7-5-12)14(18)17-22(19,20)9-11-2-3-13(15)16-8-11/h2-3,8,10,12H,4-7,9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyZVEFGWUIGQEZBU-SNVBAGLBSA-N
MW346.84 g/mol
LogP1.74
Rot. Bonds5

About (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide

(2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide (PubChem CID 99718392) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide
PubChem CID99718392
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name(2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide
SMILESC[C@@H](C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1)C1CCOCC1
InChIInChI=1S/C14H19ClN2O4S/c1-10(12-4-6-21-7-5-12)14(18)17-22(19,20)9-11-2-3-13(15)16-8-11/h2-3,8,10,12H,4-7,9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyZVEFGWUIGQEZBU-SNVBAGLBSA-N
XLogP1.74
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide (CID 99718392) is (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide is C[C@@H](C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1)C1CCOCC1.
What is the InChIKey of (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide?
The InChIKey is ZVEFGWUIGQEZBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-10(12-4-6-21-7-5-12)14(18)17-22(19,20)9-11-2-3-13(15)16-8-11/h2-3,8,10,12H,4-7,9H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide?
(2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide has a molecular weight of 346.84 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 99718392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).