N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide

C12H16FNO5S — CID 67736256

IUPACN-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
SMILESCS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)CO)cc1
InChIInChI=1S/C12H16FNO5S/c1-20(18,19)9-4-2-8(3-5-9)12(17)10(6-13)14-11(16)7-15/h2-5,10,12,15,17H,6-7H2,1H3,(H,14,16)/t10-,12-/m1/s1
InChIKeyVREXTXXIYOPBFV-ZYHUDNBSSA-N
MW305.33 g/mol
LogP-0.43
Rot. Bonds6

About N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide

N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide (PubChem CID 67736256) has the molecular formula C12H16FNO5S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
PubChem CID67736256
Molecular FormulaC12H16FNO5S
Molecular Weight305.33 g/mol
Exact Mass305.07
IUPAC NameN-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
SMILESCS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)CO)cc1
InChIInChI=1S/C12H16FNO5S/c1-20(18,19)9-4-2-8(3-5-9)12(17)10(6-13)14-11(16)7-15/h2-5,10,12,15,17H,6-7H2,1H3,(H,14,16)/t10-,12-/m1/s1
InChIKeyVREXTXXIYOPBFV-ZYHUDNBSSA-N
XLogP-0.43
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Thiamphenicol
CID 27200
Florfenicol
CID 114811
Racephenicol
CID 5433
2,2-Dichloro-N-(3-fluoro-1-hydroxy-1-(4-(methanesulfonyl)phenyl)propan-2-yl)acetamide
CID 5201447
ent-Thiamphenicol
CID 146678
rel-(1R,2S)--N-[1-(Fluoromethyl)-2-hydroxy-2-(4-(methylsulforyl)phenyl)ethyl]-2,2-dichloroacetamide
CID 6604432
Benzenemethanol, alpha-(1-(butylamino)propyl)-4-(methylthio)-, hydrochloride
CID 3041726
Florfenicol amine
CID 156406
(R(R*,R*))-2-Amino-1-(p-(methylsulphonyl)phenyl)propane-1,3-diol
CID 6452441
Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride
CID 3041718
2-Amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride
CID 19422964
(2S)-2-amino-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 52946775

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide?
The IUPAC name of N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide (CID 67736256) is N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide is CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)CO)cc1.
What is the InChIKey of N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide?
The InChIKey is VREXTXXIYOPBFV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16FNO5S/c1-20(18,19)9-4-2-8(3-5-9)12(17)10(6-13)14-11(16)7-15/h2-5,10,12,15,17H,6-7H2,1H3,(H,14,16)/t10-,12-/m1/s1.
What are the key properties of N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide?
N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide has a molecular weight of 305.33 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 67736256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).