3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride

C9H12ClNO5S2 — CID 18071474

IUPAC3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
SMILESCOCCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H12ClNO5S2/c1-16-6-5-11-18(14,15)9-4-2-3-8(7-9)17(10,12)13/h2-4,7,11H,5-6H2,1H3
InChIKeyWVJIECCPDDNUDZ-UHFFFAOYSA-N
MW313.78 g/mol
LogP0.54
Rot. Bonds6

About 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride

3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride (PubChem CID 18071474) has the molecular formula C9H12ClNO5S2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
PubChem CID18071474
Molecular FormulaC9H12ClNO5S2
Molecular Weight313.78 g/mol
Exact Mass312.98
IUPAC Name3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
SMILESCOCCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H12ClNO5S2/c1-16-6-5-11-18(14,15)9-4-2-3-8(7-9)17(10,12)13/h2-4,7,11H,5-6H2,1H3
InChIKeyWVJIECCPDDNUDZ-UHFFFAOYSA-N
XLogP0.54
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride
CID 104761565
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-N-[2-(2-methoxyethylamino)ethyl]benzene-1,3-disulfonamide
CID 83036725
3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 113450286
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 60844266
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride (CID 18071474) is 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride is COCCNS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is WVJIECCPDDNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO5S2/c1-16-6-5-11-18(14,15)9-4-2-3-8(7-9)17(10,12)13/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride?
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 313.78 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 18071474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).