(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide

C15H23BrFNO2S — CID 67025464

IUPAC(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(O)C[C@](C)(N[S@](=O)C(C)(C)C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H23BrFNO2S/c1-10(19)9-15(5,18-21(20)14(2,3)4)11-6-7-13(17)12(16)8-11/h6-8,10,18-19H,9H2,1-5H3/t10?,15-,21+/m0/s1
InChIKeyYWOMMRHEDANKDM-GETSSZHYSA-N
MW380.32 g/mol
LogP3.63
Rot. Bonds5

About (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 67025464) has the molecular formula C15H23BrFNO2S and a molecular weight of 380.32 g/mol. Its IUPAC name is (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID67025464
Molecular FormulaC15H23BrFNO2S
Molecular Weight380.32 g/mol
Exact Mass379.06
IUPAC Name(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(O)C[C@](C)(N[S@](=O)C(C)(C)C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H23BrFNO2S/c1-10(19)9-15(5,18-21(20)14(2,3)4)11-6-7-13(17)12(16)8-11/h6-8,10,18-19H,9H2,1-5H3/t10?,15-,21+/m0/s1
InChIKeyYWOMMRHEDANKDM-GETSSZHYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(R)-2-methyl-N-[(2S,4R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxypentan-2-yl]propane-2-sulfinamide
CID 71663326
(R)-3-amino-3-(5-bromo-2-fluoro-phenyl)-2,2-difluoro-butan-1-ol
CID 57486359
2-Amino-2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 57514211
(3S)-3-amino-3-(5-bromo-2,4-difluorophenyl)butan-1-ol
CID 57948964
(4R)-4-amino-4-(5-bromo-2-fluorophenyl)-3,3-difluoro-2-methylpentan-2-ol
CID 58304176
N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxy-4-methylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 58304185
N-[(2R)-2-(5-bromo-2-fluorophenyl)-3,3-difluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 58304246
[(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol
CID 58562957
(R)-2-amino-2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 58563010
(S)-4-amino-4-(5-bromo-2-fluoro-phenyl)-2-methyl-pentan-2-ol
CID 58563073
3-Amino-3-(3-bromo-4-fluorophenyl)butan-1-ol
CID 65239799
2-Amino-2-(5-bromo-2-fluoro-phenyl)-propane-1,3-diol
CID 66665845

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (CID 67025464) is (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is CC(O)C[C@](C)(N[S@](=O)C(C)(C)C)c1ccc(F)c(Br)c1.
What is the InChIKey of (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is YWOMMRHEDANKDM-GETSSZHYSA-N. The full InChI is InChI=1S/C15H23BrFNO2S/c1-10(19)9-15(5,18-21(20)14(2,3)4)11-6-7-13(17)12(16)8-11/h6-8,10,18-19H,9H2,1-5H3/t10?,15-,21+/m0/s1.
What are the key properties of (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 380.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67025464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).