[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C19H15Cl2N3O6S — CID 2533346

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O6S/c20-13-8-16(21)18(22-9-13)24-17(25)11-30-19(26)12-3-5-15(6-4-12)31(27,28)23-10-14-2-1-7-29-14/h1-9,23H,10-11H2,(H,22,24,25)
InChIKeyMTSNZGVIGVPQME-UHFFFAOYSA-N
MW484.32 g/mol
LogP3.26
Rot. Bonds8

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2533346) has the molecular formula C19H15Cl2N3O6S and a molecular weight of 484.32 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2533346
Molecular FormulaC19H15Cl2N3O6S
Molecular Weight484.32 g/mol
Exact Mass483.01
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O6S/c20-13-8-16(21)18(22-9-13)24-17(25)11-30-19(26)12-3-5-15(6-4-12)31(27,28)23-10-14-2-1-7-29-14/h1-9,23H,10-11H2,(H,22,24,25)
InChIKeyMTSNZGVIGVPQME-UHFFFAOYSA-N
XLogP3.26
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2078980
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 2998877
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3365953
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4853299
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6293013
4-(furan-2-ylmethylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106954
[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 4969723
4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 18107077
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2083641
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2339852
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2375886
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2472709

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2533346) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is MTSNZGVIGVPQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O6S/c20-13-8-16(21)18(22-9-13)24-17(25)11-30-19(26)12-3-5-15(6-4-12)31(27,28)23-10-14-2-1-7-29-14/h1-9,23H,10-11H2,(H,22,24,25).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 484.32 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2533346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).