2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate

C22H20ClNO5S — CID 2598482

IUPAC2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2Cl)cc1
InChIInChI=1S/C22H20ClNO5S/c1-24(18-7-3-2-4-8-18)30(26,27)19-13-11-17(12-14-19)22(25)29-16-15-28-21-10-6-5-9-20(21)23/h2-14H,15-16H2,1H3
InChIKeyIAUXNLKMIGUYRQ-UHFFFAOYSA-N
MW445.92 g/mol
LogP4.40
Rot. Bonds8

About 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate

2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2598482) has the molecular formula C22H20ClNO5S and a molecular weight of 445.92 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2598482
Molecular FormulaC22H20ClNO5S
Molecular Weight445.92 g/mol
Exact Mass445.08
IUPAC Name2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2Cl)cc1
InChIInChI=1S/C22H20ClNO5S/c1-24(18-7-3-2-4-8-18)30(26,27)19-13-11-17(12-14-19)22(25)29-16-15-28-21-10-6-5-9-20(21)23/h2-14H,15-16H2,1H3
InChIKeyIAUXNLKMIGUYRQ-UHFFFAOYSA-N
XLogP4.40
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.92
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 9271702
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2680115
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46788854
2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30548140
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46638410
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 42968816
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2598584
pyridin-3-ylmethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18083751
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2652498
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16597218
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate (CID 2598482) is 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is IAUXNLKMIGUYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5S/c1-24(18-7-3-2-4-8-18)30(26,27)19-13-11-17(12-14-19)22(25)29-16-15-28-21-10-6-5-9-20(21)23/h2-14H,15-16H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate?
2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 445.92 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2598482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).