N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide

C16H23BrF3NO2S — CID 58304185

IUPACN-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@](C)(c1cc(Br)ccc1F)C(F)(F)C(C)(C)O
InChIInChI=1S/C16H23BrF3NO2S/c1-13(2,3)24(23)21-15(6,16(19,20)14(4,5)22)11-9-10(17)7-8-12(11)18/h7-9,21-22H,1-6H3/t15-,24?/m1/s1
InChIKeyYFXQYTNFSAEVOR-GZAIGYLVSA-N
MW430.33 g/mol
LogP4.26
Rot. Bonds5

About N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide

N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 58304185) has the molecular formula C16H23BrF3NO2S and a molecular weight of 430.33 g/mol. Its IUPAC name is N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID58304185
Molecular FormulaC16H23BrF3NO2S
Molecular Weight430.33 g/mol
Exact Mass429.06
IUPAC NameN-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@](C)(c1cc(Br)ccc1F)C(F)(F)C(C)(C)O
InChIInChI=1S/C16H23BrF3NO2S/c1-13(2,3)24(23)21-15(6,16(19,20)14(4,5)22)11-9-10(17)7-8-12(11)18/h7-9,21-22H,1-6H3/t15-,24?/m1/s1
InChIKeyYFXQYTNFSAEVOR-GZAIGYLVSA-N
XLogP4.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide (CID 58304185) is N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@](C)(c1cc(Br)ccc1F)C(F)(F)C(C)(C)O.
What is the InChIKey of N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is YFXQYTNFSAEVOR-GZAIGYLVSA-N. The full InChI is InChI=1S/C16H23BrF3NO2S/c1-13(2,3)24(23)21-15(6,16(19,20)14(4,5)22)11-9-10(17)7-8-12(11)18/h7-9,21-22H,1-6H3/t15-,24?/m1/s1.
What are the key properties of N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide?
N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 430.33 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 58304185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).