N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide

C11H17NO8S2 — CID 137428400

IUPACN-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide
SMILESCOCCOC(O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO8S2/c1-18-7-8-19-11(13)20-12-22(16,17)10-6-4-3-5-9(10)21(2,14)15/h3-6,11-13H,7-8H2,1-2H3
InChIKeyLMBOIYDZEXYOSF-UHFFFAOYSA-N
MW355.39 g/mol
LogP-0.76
Rot. Bonds9

About N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide

N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide (PubChem CID 137428400) has the molecular formula C11H17NO8S2 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide
PubChem CID137428400
Molecular FormulaC11H17NO8S2
Molecular Weight355.39 g/mol
Exact Mass355.04
IUPAC NameN-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide
SMILESCOCCOC(O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO8S2/c1-18-7-8-19-11(13)20-12-22(16,17)10-6-4-3-5-9(10)21(2,14)15/h3-6,11-13H,7-8H2,1-2H3
InChIKeyLMBOIYDZEXYOSF-UHFFFAOYSA-N
XLogP-0.76
TPSA128.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-methylsulfonylphenyl)sulfonylamino] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 53241059
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide
CID 129056904
2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
CID 129056966
[(2-methylsulfonylphenyl)sulfonylamino] 2-[acetyl(methyl)amino]acetate
CID 53241355
N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide
CID 129056963
methyl 2-methyl-3-(2-methylsulfonylphenyl)sulfanylpropanoate
CID 66114446
methyl 2-(2-methylsulfonylanilino)butanoate
CID 113292467
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide
CID 60533042
methyl 3-methoxy-2-[2-(2-methylsulfonylphenyl)acetyl]oxypropanoate
CID 119038624
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide (CID 137428400) is N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide is COCCOC(O)ONS(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is LMBOIYDZEXYOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO8S2/c1-18-7-8-19-11(13)20-12-22(16,17)10-6-4-3-5-9(10)21(2,14)15/h3-6,11-13H,7-8H2,1-2H3.
What are the key properties of N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide?
N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 355.39 g/mol, XLogP of -0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 137428400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).