N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide

C14H20BrF2NO2S — CID 90375303

IUPACN-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(CC(O)F)(NS(=O)C(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrF2NO2S/c1-13(2,3)21(20)18-14(4,8-12(17)19)10-7-9(15)5-6-11(10)16/h5-7,12,18-19H,8H2,1-4H3
InChIKeyQZEFBNWNXRJRAD-UHFFFAOYSA-N
MW384.29 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide

N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 90375303) has the molecular formula C14H20BrF2NO2S and a molecular weight of 384.29 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID90375303
Molecular FormulaC14H20BrF2NO2S
Molecular Weight384.29 g/mol
Exact Mass383.04
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(CC(O)F)(NS(=O)C(C)(C)C)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrF2NO2S/c1-13(2,3)21(20)18-14(4,8-12(17)19)10-7-9(15)5-6-11(10)16/h5-7,12,18-19H,8H2,1-4H3
InChIKeyQZEFBNWNXRJRAD-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide (CID 90375303) is N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide is CC(CC(O)F)(NS(=O)C(C)(C)C)c1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is QZEFBNWNXRJRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2NO2S/c1-13(2,3)21(20)18-14(4,8-12(17)19)10-7-9(15)5-6-11(10)16/h5-7,12,18-19H,8H2,1-4H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide?
N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 384.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90375303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).