(2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide

C14H20F3NO2S — CID 123311356

IUPAC(2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide
SMILESCC[C@@H](C)S(=O)N[C@](CF)(c1ccccc1F)[C@H](F)CO
InChIInChI=1S/C14H20F3NO2S/c1-3-10(2)21(20)18-14(9-15,13(17)8-19)11-6-4-5-7-12(11)16/h4-7,10,13,18-19H,3,8-9H2,1-2H3/t10-,13-,14-,21?/m1/s1
InChIKeySCIDZWRGUXOMIS-HNHSGNAJSA-N
MW323.38 g/mol
LogP2.37
Rot. Bonds8

About (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide

(2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide (PubChem CID 123311356) has the molecular formula C14H20F3NO2S and a molecular weight of 323.38 g/mol. Its IUPAC name is (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide.

Molecular Properties

Compound Name(2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide
PubChem CID123311356
Molecular FormulaC14H20F3NO2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC Name(2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide
SMILESCC[C@@H](C)S(=O)N[C@](CF)(c1ccccc1F)[C@H](F)CO
InChIInChI=1S/C14H20F3NO2S/c1-3-10(2)21(20)18-14(9-15,13(17)8-19)11-6-4-5-7-12(11)16/h4-7,10,13,18-19H,3,8-9H2,1-2H3/t10-,13-,14-,21?/m1/s1
InChIKeySCIDZWRGUXOMIS-HNHSGNAJSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide with MolForge

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Related Compounds

(S)-N-[(2R,3S)-3-fluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 163877972
(R)-N-[(2S)-1,1-difluoro-2-(2-fluorophenyl)-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 163710470
(2S,3R)-3-[[(R)-tert-butylsulfinyl]amino]-2-fluoro-3-(2-fluorophenyl)butanoic acid
CID 121334914
(R)-N-[(2S)-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 123856021
2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 112679658
(R)-N-[(2R)-2-(2-fluorophenyl)-4-hydroxy-3-(2,2,2-trifluoroethoxy)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 70815832
N-[(2R,3R)-2-(2-fluorophenyl)-4-hydroxy-3-(2,2,2-trifluoroethoxy)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 70815826
(3S)-3-(tert-butylsulfinylamino)-4-fluoro-3-(2-fluorophenyl)butanoic acid
CID 126569884
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol
CID 112679656
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496
ethyl (2S,3R)-3-(tert-butylsulfinylamino)-2-fluoro-3-(2-fluorophenyl)-2-methylbutanoate
CID 70815680

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide?
The IUPAC name of (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide (CID 123311356) is (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide.
What is the SMILES notation for (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide?
The canonical SMILES for (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide is CC[C@@H](C)S(=O)N[C@](CF)(c1ccccc1F)[C@H](F)CO.
What is the InChIKey of (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide?
The InChIKey is SCIDZWRGUXOMIS-HNHSGNAJSA-N. The full InChI is InChI=1S/C14H20F3NO2S/c1-3-10(2)21(20)18-14(9-15,13(17)8-19)11-6-4-5-7-12(11)16/h4-7,10,13,18-19H,3,8-9H2,1-2H3/t10-,13-,14-,21?/m1/s1.
What are the key properties of (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide?
(2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide has a molecular weight of 323.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]butane-2-sulfinamide is sourced from PubChem (CID 123311356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).