[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate

C18H20N2O7S2 — CID 16514566

IUPAC[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H20N2O7S2/c1-20(2)29(25,26)16-10-6-14(7-11-16)19-17(21)12-27-18(22)13-4-8-15(9-5-13)28(3,23)24/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeySWLPPTQRKFQACA-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.14
Rot. Bonds7

About [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate (PubChem CID 16514566) has the molecular formula C18H20N2O7S2 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
PubChem CID16514566
Molecular FormulaC18H20N2O7S2
Molecular Weight440.50 g/mol
Exact Mass440.07
IUPAC Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H20N2O7S2/c1-20(2)29(25,26)16-10-6-14(7-11-16)19-17(21)12-27-18(22)13-4-8-15(9-5-13)28(3,23)24/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeySWLPPTQRKFQACA-UHFFFAOYSA-N
XLogP1.14
TPSA126.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate 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-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7752504
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603643
[2-(4-methoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670499
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 55316710
[2-(3,5-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2115425
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515162
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603676
[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2433856

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate?
The IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate (CID 16514566) is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate.
What is the SMILES notation for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate?
The canonical SMILES for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate is CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate?
The InChIKey is SWLPPTQRKFQACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S2/c1-20(2)29(25,26)16-10-6-14(7-11-16)19-17(21)12-27-18(22)13-4-8-15(9-5-13)28(3,23)24/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate?
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate has a molecular weight of 440.50 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate is sourced from PubChem (CID 16514566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).