N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide

C10H15NO6S2 — CID 82715379

IUPACN-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
SMILESCOCCONS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO6S2/c1-16-7-8-17-11-19(14,15)10-5-3-9(4-6-10)18(2,12)13/h3-6,11H,7-8H2,1-2H3
InChIKeyAGJXSPPFBINIHN-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.05
Rot. Bonds7

About N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide

N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide (PubChem CID 82715379) has the molecular formula C10H15NO6S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
PubChem CID82715379
Molecular FormulaC10H15NO6S2
Molecular Weight309.37 g/mol
Exact Mass309.03
IUPAC NameN-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
SMILESCOCCONS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO6S2/c1-16-7-8-17-11-19(14,15)10-5-3-9(4-6-10)18(2,12)13/h3-6,11H,7-8H2,1-2H3
InChIKeyAGJXSPPFBINIHN-UHFFFAOYSA-N
XLogP-0.05
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642725
2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82707336
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
3-chloro-N-(2-methoxyethoxy)-4-methyl-5-nitrobenzenesulfonamide
CID 82715055
5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
CID 106266016
4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 105044402
4-bromo-N-(methoxymethoxy)benzenesulfonamide
CID 110504620
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
CID 103878746
4-phenyl-N-propoxybenzenesulfonamide
CID 175370180

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide (CID 82715379) is N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide is COCCONS(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide?
The InChIKey is AGJXSPPFBINIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S2/c1-16-7-8-17-11-19(14,15)10-5-3-9(4-6-10)18(2,12)13/h3-6,11H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide?
N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 82715379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).