2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride

C12H16ClNO4S — CID 65368607

IUPAC2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NCCOC)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClNO4S/c1-3-9-4-5-10(8-11(9)19(13,16)17)12(15)14-6-7-18-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyAPMZACMGMCYGPM-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.55
Rot. Bonds6

About 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride

2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368607) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368607
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NCCOC)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClNO4S/c1-3-9-4-5-10(8-11(9)19(13,16)17)12(15)14-6-7-18-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyAPMZACMGMCYGPM-UHFFFAOYSA-N
XLogP1.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65397363
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858
2-(methoxymethyl)-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367566
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
2-bromo-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368304
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
5-(butan-2-ylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65368758
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65370930
5-(2-methoxyethylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65368514
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride (CID 65368607) is 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride is CCc1ccc(C(=O)NCCOC)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is APMZACMGMCYGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-3-9-4-5-10(8-11(9)19(13,16)17)12(15)14-6-7-18-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride?
2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 305.78 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).