2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate

C17H16N2O5S — CID 25434917

IUPAC2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate
SMILESCc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H16N2O5S/c1-12-2-5-14(10-16(12)25(19,21)22)17(20)24-9-8-23-15-6-3-13(11-18)4-7-15/h2-7,10H,8-9H2,1H3,(H2,19,21,22)
InChIKeyDHVYYUDFGGOZJR-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.75
Rot. Bonds6

About 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate

2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate (PubChem CID 25434917) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate.

Molecular Properties

Compound Name2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate
PubChem CID25434917
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate
SMILESCc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H16N2O5S/c1-12-2-5-14(10-16(12)25(19,21)22)17(20)24-9-8-23-15-6-3-13(11-18)4-7-15/h2-7,10H,8-9H2,1H3,(H2,19,21,22)
InChIKeyDHVYYUDFGGOZJR-UHFFFAOYSA-N
XLogP1.75
TPSA119.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545764
2-(4-cyanophenoxy)ethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702853
2-(4-cyanophenoxy)ethyl 4-bromo-3,5-dimethoxybenzoate
CID 27988560
2-methylpropyl 4-methyl-3-sulfamoylbenzoate
CID 60730483
2-(4-ethoxyphenoxy)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 4316731
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
CID 9381384
[2-(2-methoxyethylamino)-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
CID 55427640
2-(4-cyanophenoxy)ethyl 4-(oxolan-2-ylmethoxy)benzoate
CID 46793890
4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
CID 43436544
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
oxan-2-ylmethyl 4-methyl-3-sulfamoylbenzoate
CID 60730484

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate?
The IUPAC name of 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate (CID 25434917) is 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate.
What is the SMILES notation for 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate?
The canonical SMILES for 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate is Cc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate?
The InChIKey is DHVYYUDFGGOZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-12-2-5-14(10-16(12)25(19,21)22)17(20)24-9-8-23-15-6-3-13(11-18)4-7-15/h2-7,10H,8-9H2,1H3,(H2,19,21,22).
What are the key properties of 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate?
2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate has a molecular weight of 360.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)ethyl 4-methyl-3-sulfamoylbenzoate is sourced from PubChem (CID 25434917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).