2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate

C16H16ClNO5S — CID 24530361

IUPAC2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccccc1C(=O)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO5S/c1-24(20,21)18-15-5-3-2-4-14(15)16(19)23-11-10-22-13-8-6-12(17)7-9-13/h2-9,18H,10-11H2,1H3
InChIKeyLMDSIHHOKFCCAS-UHFFFAOYSA-N
MW369.83 g/mol
LogP2.95
Rot. Bonds7

About 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate

2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate (PubChem CID 24530361) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate
PubChem CID24530361
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC Name2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccccc1C(=O)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO5S/c1-24(20,21)18-15-5-3-2-4-14(15)16(19)23-11-10-22-13-8-6-12(17)7-9-13/h2-9,18H,10-11H2,1H3
InChIKeyLMDSIHHOKFCCAS-UHFFFAOYSA-N
XLogP2.95
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 52.95
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

2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530371
2-(3-bromophenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530365
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
2-(4-bromophenoxy)ethyl 2-(4-chlorobenzoyl)benzoate
CID 2548738
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 41153767
2-(4-chlorophenoxy)ethyl 2,4,5-trimethoxybenzoate
CID 2488036
(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate
CID 27910928
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
2-(4-chlorophenoxy)ethyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 2575812

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate (CID 24530361) is 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate is CS(=O)(=O)Nc1ccccc1C(=O)OCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate?
The InChIKey is LMDSIHHOKFCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-24(20,21)18-15-5-3-2-4-14(15)16(19)23-11-10-22-13-8-6-12(17)7-9-13/h2-9,18H,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate?
2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate has a molecular weight of 369.83 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 24530361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).