2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride

C14H20ClNO4S — CID 65397363

IUPAC2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NCCCCOC)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H20ClNO4S/c1-3-11-6-7-12(10-13(11)21(15,18)19)14(17)16-8-4-5-9-20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyFJHVXGJKIZGLQT-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.33
Rot. Bonds8

About 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride

2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65397363) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
PubChem CID65397363
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NCCCCOC)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H20ClNO4S/c1-3-11-6-7-12(10-13(11)21(15,18)19)14(17)16-8-4-5-9-20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyFJHVXGJKIZGLQT-UHFFFAOYSA-N
XLogP2.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.33
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-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65368607
2-(methoxymethyl)-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367566
2-bromo-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368304
2,3-dichloro-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65397171
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
7-[(4-ethyl-3-methylsulfonylbenzoyl)amino]heptanoic acid
CID 120524109
4-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 62175950

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride (CID 65397363) is 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride is CCc1ccc(C(=O)NCCCCOC)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is FJHVXGJKIZGLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-3-11-6-7-12(10-13(11)21(15,18)19)14(17)16-8-4-5-9-20-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride?
2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65397363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).