3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride

C11H16ClNO5S2 — CID 104761565

IUPAC3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride
SMILESCC(C)OCCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO5S2/c1-9(2)18-7-6-13-20(16,17)11-5-3-4-10(8-11)19(12,14)15/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyIUUQPTMUTKHHGD-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.32
Rot. Bonds7

About 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride

3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride (PubChem CID 104761565) has the molecular formula C11H16ClNO5S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride
PubChem CID104761565
Molecular FormulaC11H16ClNO5S2
Molecular Weight341.84 g/mol
Exact Mass341.02
IUPAC Name3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride
SMILESCC(C)OCCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO5S2/c1-9(2)18-7-6-13-20(16,17)11-5-3-4-10(8-11)19(12,14)15/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyIUUQPTMUTKHHGD-UHFFFAOYSA-N
XLogP1.32
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
3-N-[2-(2-methylpropoxy)ethyl]benzene-1,3-disulfonamide
CID 115588283
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 113431383
N-(2-propan-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110602848
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 113450286
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
3-cyano-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104600681
3-(aminomethyl)-4-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077413
2-methyl-4-(2-propan-2-yloxyethylsulfamoyl)benzenecarbothioamide
CID 106920339

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride (CID 104761565) is 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride is CC(C)OCCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is IUUQPTMUTKHHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO5S2/c1-9(2)18-7-6-13-20(16,17)11-5-3-4-10(8-11)19(12,14)15/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride?
3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 341.84 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 104761565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).