2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate

C21H23N3O5S — CID 33073324

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-16-12-13-22-24(16)18-6-4-17(5-7-18)21(25)29-15-14-28-19-8-10-20(11-9-19)30(26,27)23(2)3/h4-13H,14-15H2,1-3H3
InChIKeyJWHSIBBWKIVZMO-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.67
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate (PubChem CID 33073324) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate
PubChem CID33073324
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H23N3O5S/c1-16-12-13-22-24(16)18-6-4-17(5-7-18)21(25)29-15-14-28-19-8-10-20(11-9-19)30(26,27)23(2)3/h4-13H,14-15H2,1-3H3
InChIKeyJWHSIBBWKIVZMO-UHFFFAOYSA-N
XLogP2.67
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate 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-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-fluoro-4-methylbenzoate
CID 9381384
2-(2-methylphenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 9271702
3-pyridin-4-ylpropyl 4-(dimethylsulfamoyl)benzoate
CID 7551907
N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 34029254
methyl 4-[(E)-3-[2-[4-(dimethylsulfamoyl)phenoxy]ethoxy]-3-oxoprop-1-enyl]benzoate
CID 39601554
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7844343
N'-(4-ethoxybenzoyl)-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9327686
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
CID 39415083
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2,5-dichlorobenzoate
CID 39412489
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 24523807

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate (CID 33073324) is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate is Cc1ccnn1-c1ccc(C(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate?
The InChIKey is JWHSIBBWKIVZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-16-12-13-22-24(16)18-6-4-17(5-7-18)21(25)29-15-14-28-19-8-10-20(11-9-19)30(26,27)23(2)3/h4-13H,14-15H2,1-3H3.
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate?
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate has a molecular weight of 429.50 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 4-(5-methylpyrazol-1-yl)benzoate is sourced from PubChem (CID 33073324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).