2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide

C11H14ClNO5S — CID 134298683

IUPAC2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCS(=O)(=O)c1ccc([C@@H](O)CNC(=O)C(O)Cl)cc1
InChIInChI=1S/C11H14ClNO5S/c1-19(17,18)8-4-2-7(3-5-8)9(14)6-13-11(16)10(12)15/h2-5,9-10,14-15H,6H2,1H3,(H,13,16)/t9-,10?/m0/s1
InChIKeyZPKPYAGISWNUPX-RGURZIINSA-N
MW307.76 g/mol
LogP-0.20
Rot. Bonds5

About 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide

2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 134298683) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID134298683
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Name2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCS(=O)(=O)c1ccc([C@@H](O)CNC(=O)C(O)Cl)cc1
InChIInChI=1S/C11H14ClNO5S/c1-19(17,18)8-4-2-7(3-5-8)9(14)6-13-11(16)10(12)15/h2-5,9-10,14-15H,6H2,1H3,(H,13,16)/t9-,10?/m0/s1
InChIKeyZPKPYAGISWNUPX-RGURZIINSA-N
XLogP-0.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide
CID 112673881
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
chloro-(4-methylsulfonylphenyl)methanol
CID 172793429
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
1-(4-methylsulfonylphenyl)-2-(pyrrol-1-ylamino)ethanol
CID 79100079
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 55652815
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide (CID 134298683) is 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide is CS(=O)(=O)c1ccc([C@@H](O)CNC(=O)C(O)Cl)cc1.
What is the InChIKey of 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is ZPKPYAGISWNUPX-RGURZIINSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-19(17,18)8-4-2-7(3-5-8)9(14)6-13-11(16)10(12)15/h2-5,9-10,14-15H,6H2,1H3,(H,13,16)/t9-,10?/m0/s1.
What are the key properties of 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide?
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 307.76 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 134298683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).