methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate

C18H20ClNO5S — CID 100557630

IUPACmethyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
SMILESCCc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1
InChIInChI=1S/C18H20ClNO5S/c1-3-13-4-6-14(7-5-13)25-11-10-20-26(22,23)15-8-9-17(19)16(12-15)18(21)24-2/h4-9,12,20H,3,10-11H2,1-2H3
InChIKeyUDYKZLVZOYWJLK-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.05
Rot. Bonds8

About methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate

methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate (PubChem CID 100557630) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
PubChem CID100557630
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Namemethyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
SMILESCCc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1
InChIInChI=1S/C18H20ClNO5S/c1-3-13-4-6-14(7-5-13)25-11-10-20-26(22,23)15-8-9-17(19)16(12-15)18(21)24-2/h4-9,12,20H,3,10-11H2,1-2H3
InChIKeyUDYKZLVZOYWJLK-UHFFFAOYSA-N
XLogP3.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.05
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

methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate
CID 99639450
4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113102776
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 24633320
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-5-(2-phenoxyethylsulfamoyl)benzamide
CID 31411571
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24595727
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 100557463
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24625182
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate (CID 100557630) is methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate is CCc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate?
The InChIKey is UDYKZLVZOYWJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c1-3-13-4-6-14(7-5-13)25-11-10-20-26(22,23)15-8-9-17(19)16(12-15)18(21)24-2/h4-9,12,20H,3,10-11H2,1-2H3.
What are the key properties of methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate?
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate has a molecular weight of 397.88 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate is sourced from PubChem (CID 100557630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).