N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide

C18H21FN2O3S — CID 68913061

IUPACN-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1COCC1c1ccc(-c2ccc(F)nc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)25(22,23)21-17-11-24-10-16(17)14-5-3-13(4-6-14)15-7-8-18(19)20-9-15/h3-9,12,16-17,21H,10-11H2,1-2H3
InChIKeyRHNSOXQSQUJDQO-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.70
Rot. Bonds5

About N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide

N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (PubChem CID 68913061) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
PubChem CID68913061
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1COCC1c1ccc(-c2ccc(F)nc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12(2)25(22,23)21-17-11-24-10-16(17)14-5-3-13(4-6-14)15-7-8-18(19)20-9-15/h3-9,12,16-17,21H,10-11H2,1-2H3
InChIKeyRHNSOXQSQUJDQO-UHFFFAOYSA-N
XLogP2.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The IUPAC name of N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide (CID 68913061) is N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1COCC1c1ccc(-c2ccc(F)nc2)cc1.
What is the InChIKey of N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
The InChIKey is RHNSOXQSQUJDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12(2)25(22,23)21-17-11-24-10-16(17)14-5-3-13(4-6-14)15-7-8-18(19)20-9-15/h3-9,12,16-17,21H,10-11H2,1-2H3.
What are the key properties of N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide?
N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-fluoro-3-pyridinyl)phenyl]oxolan-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 68913061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).