3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride

C13H18ClNO5S — CID 65370563

IUPAC3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride
SMILESCCOCCNC(=O)c1cc(COC)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H18ClNO5S/c1-3-20-5-4-15-13(16)11-6-10(9-19-2)7-12(8-11)21(14,17)18/h6-8H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyUTMUSZNWKIIRCL-UHFFFAOYSA-N
MW335.81 g/mol
LogP1.53
Rot. Bonds8

About 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride

3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride (PubChem CID 65370563) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride
PubChem CID65370563
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride
SMILESCCOCCNC(=O)c1cc(COC)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H18ClNO5S/c1-3-20-5-4-15-13(16)11-6-10(9-19-2)7-12(8-11)21(14,17)18/h6-8H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyUTMUSZNWKIIRCL-UHFFFAOYSA-N
XLogP1.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.53
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-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
CID 65372783
3-(2-butoxyethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65396992
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65371525
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
cyclobutyl 3-chlorosulfonyl-5-(methoxymethyl)benzoate
CID 65375108
2,4,5-trichloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65370372
3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride
CID 65368215
N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
CID 55867643
2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65368607
N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
CID 65375749
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
CID 55090903

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride (CID 65370563) is 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride is CCOCCNC(=O)c1cc(COC)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride?
The InChIKey is UTMUSZNWKIIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-3-20-5-4-15-13(16)11-6-10(9-19-2)7-12(8-11)21(14,17)18/h6-8H,3-5,9H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride?
3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride has a molecular weight of 335.81 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).