N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide

C13H20BrFN2O2S — CID 90373098

IUPACN-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(CCO)(NS(=O)C(C)(C)C)c1nc(Br)ccc1F
InChIInChI=1S/C13H20BrFN2O2S/c1-12(2,3)20(19)17-13(4,7-8-18)11-9(15)5-6-10(14)16-11/h5-6,17-18H,7-8H2,1-4H3
InChIKeyNHLQGCCTCBGAMO-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide

N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 90373098) has the molecular formula C13H20BrFN2O2S and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID90373098
Molecular FormulaC13H20BrFN2O2S
Molecular Weight367.28 g/mol
Exact Mass366.04
IUPAC NameN-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(CCO)(NS(=O)C(C)(C)C)c1nc(Br)ccc1F
InChIInChI=1S/C13H20BrFN2O2S/c1-12(2,3)20(19)17-13(4,7-8-18)11-9(15)5-6-10(14)16-11/h5-6,17-18H,7-8H2,1-4H3
InChIKeyNHLQGCCTCBGAMO-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide (CID 90373098) is N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide is CC(CCO)(NS(=O)C(C)(C)C)c1nc(Br)ccc1F.
What is the InChIKey of N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is NHLQGCCTCBGAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O2S/c1-12(2,3)20(19)17-13(4,7-8-18)11-9(15)5-6-10(14)16-11/h5-6,17-18H,7-8H2,1-4H3.
What are the key properties of N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 367.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromo-3-fluoro-2-pyridinyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90373098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).