[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

C15H14ClN3O5S — CID 2472709

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H14ClN3O5S/c1-17-25(22,23)12-4-2-3-10(7-12)15(21)24-9-14(20)19-13-6-5-11(16)8-18-13/h2-8,17H,9H2,1H3,(H,18,19,20)
InChIKeyJKJGXCONKOMUAA-UHFFFAOYSA-N
MW383.81 g/mol
LogP1.44
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate (PubChem CID 2472709) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
PubChem CID2472709
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H14ClN3O5S/c1-17-25(22,23)12-4-2-3-10(7-12)15(21)24-9-14(20)19-13-6-5-11(16)8-18-13/h2-8,17H,9H2,1H3,(H,18,19,20)
InChIKeyJKJGXCONKOMUAA-UHFFFAOYSA-N
XLogP1.44
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2544883
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 2636191
[1-[(5-Chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 4785222
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2520095
N-(5-Chloro-pyridin-2-yl)-3-diethylsulfamoyl-benzamide
CID 652548
2-(Pyridine-4-carbonylamino)ethyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 2093658
3-[4-(4-Morpholinylsulfonyl)phenyl]propanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester
CID 2096878
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2360242
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 2389690
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2488237
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] benzoate
CID 2493718

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate (CID 2472709) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
The InChIKey is JKJGXCONKOMUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-17-25(22,23)12-4-2-3-10(7-12)15(21)24-9-14(20)19-13-6-5-11(16)8-18-13/h2-8,17H,9H2,1H3,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate has a molecular weight of 383.81 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 2472709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).