(4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide

C13H16BrFN2OS — CID 140674060

IUPAC(4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide
SMILESCC(C)(C[C@@](C)(C#N)c1cc(Br)ccc1F)S(N)=O
InChIInChI=1S/C13H16BrFN2OS/c1-12(2,19(17)18)7-13(3,8-16)10-6-9(14)4-5-11(10)15/h4-6H,7,17H2,1-3H3/t13-,19?/m0/s1
InChIKeyQDECLSLFDCQSFZ-YTJLLHSVSA-N
MW347.25 g/mol
LogP3.16
Rot. Bonds4

About (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide

(4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide (PubChem CID 140674060) has the molecular formula C13H16BrFN2OS and a molecular weight of 347.25 g/mol. Its IUPAC name is (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide
PubChem CID140674060
Molecular FormulaC13H16BrFN2OS
Molecular Weight347.25 g/mol
Exact Mass346.02
IUPAC Name(4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide
SMILESCC(C)(C[C@@](C)(C#N)c1cc(Br)ccc1F)S(N)=O
InChIInChI=1S/C13H16BrFN2OS/c1-12(2,19(17)18)7-13(3,8-16)10-6-9(14)4-5-11(10)15/h4-6H,7,17H2,1-3H3/t13-,19?/m0/s1
InChIKeyQDECLSLFDCQSFZ-YTJLLHSVSA-N
XLogP3.16
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-[(2R)-2-(5-bromo-2-fluorophenyl)-1-(2-cyanopropan-2-ylsulfonyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 129409300
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129813
2-(5-bromo-2-fluorophenyl)-2-(prop-2-ynylamino)propanenitrile
CID 82966921
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
2-(2-fluoro-5-methylphenyl)-2-methylbutanenitrile
CID 130133642
(R)-N-[(2S)-2-(5-bromo-2-fluorophenyl)-4-(1-cyanocyclobutyl)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 161427209
N-[(2R)-2-(5-bromo-2-fluorophenyl)-1-(1-cyanocyclopropyl)sulfonylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 86715945
(3R)-3-(5-bromo-2-fluorophenyl)-4-[(S)-tert-butylsulfinyl]-2,2-difluoro-3-methylbutan-1-ol
CID 58563006
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223587
1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
CID 81188666
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide?
The IUPAC name of (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide (CID 140674060) is (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide?
The canonical SMILES for (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide is CC(C)(C[C@@](C)(C#N)c1cc(Br)ccc1F)S(N)=O.
What is the InChIKey of (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide?
The InChIKey is QDECLSLFDCQSFZ-YTJLLHSVSA-N. The full InChI is InChI=1S/C13H16BrFN2OS/c1-12(2,19(17)18)7-13(3,8-16)10-6-9(14)4-5-11(10)15/h4-6H,7,17H2,1-3H3/t13-,19?/m0/s1.
What are the key properties of (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide?
(4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide has a molecular weight of 347.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-bromo-2-fluorophenyl)-4-cyano-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 140674060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).