N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide

C9H12ClNO3S — CID 79579372

IUPACN-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
SMILESO=S(=O)(CCO)NCc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO3S/c10-9-3-1-2-8(6-9)7-11-15(13,14)5-4-12/h1-3,6,11-12H,4-5,7H2
InChIKeyLKNGYUIMAUYDEN-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.75
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide

N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide (PubChem CID 79579372) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
PubChem CID79579372
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC NameN-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
SMILESO=S(=O)(CCO)NCc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO3S/c10-9-3-1-2-8(6-9)7-11-15(13,14)5-4-12/h1-3,6,11-12H,4-5,7H2
InChIKeyLKNGYUIMAUYDEN-UHFFFAOYSA-N
XLogP0.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
CID 62531388
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
2-[(3-chlorophenyl)methylamino]ethanesulfonic acid
CID 18439273
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 75387120
1-[2-(benzylsulfamoyl)ethyl]-2-[(3-chlorophenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111176667
5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 43361993
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
CID 110601627
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide (CID 79579372) is N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide is O=S(=O)(CCO)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide?
The InChIKey is LKNGYUIMAUYDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c10-9-3-1-2-8(6-9)7-11-15(13,14)5-4-12/h1-3,6,11-12H,4-5,7H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide?
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79579372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).