[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate

C21H17Cl2N3O5S — CID 27212711

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
SMILESCc1nc(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2N3O5S/c1-13-17(22)11-18(23)20(24-13)25-19(27)12-31-21(28)14-7-9-16(10-8-14)32(29,30)26-15-5-3-2-4-6-15/h2-11,26H,12H2,1H3,(H,24,25,27)
InChIKeyVYLGAQCIMCBANQ-UHFFFAOYSA-N
MW494.36 g/mol
LogP4.29
Rot. Bonds7

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate (PubChem CID 27212711) has the molecular formula C21H17Cl2N3O5S and a molecular weight of 494.36 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
PubChem CID27212711
Molecular FormulaC21H17Cl2N3O5S
Molecular Weight494.36 g/mol
Exact Mass493.03
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
SMILESCc1nc(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2N3O5S/c1-13-17(22)11-18(23)20(24-13)25-19(27)12-31-21(28)14-7-9-16(10-8-14)32(29,30)26-15-5-3-2-4-6-15/h2-11,26H,12H2,1H3,(H,24,25,27)
InChIKeyVYLGAQCIMCBANQ-UHFFFAOYSA-N
XLogP4.29
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)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-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 33496459
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969091
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678578
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7789788
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386703
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 16522828
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate
CID 2468903
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2468900
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512645
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 16513148
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512361

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate (CID 27212711) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate is Cc1nc(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The InChIKey is VYLGAQCIMCBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O5S/c1-13-17(22)11-18(23)20(24-13)25-19(27)12-31-21(28)14-7-9-16(10-8-14)32(29,30)26-15-5-3-2-4-6-15/h2-11,26H,12H2,1H3,(H,24,25,27).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate has a molecular weight of 494.36 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 27212711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).