[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate

C15H14ClN3O5S — CID 3532838

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H14ClN3O5S/c16-11-6-7-13(17-8-11)19-14(20)10-24-15(21)9-18-25(22,23)12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,17,19,20)
InChIKeyRKKGWKZXEZNDFI-UHFFFAOYSA-N
MW383.81 g/mol
LogP1.20
Rot. Bonds7

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate (PubChem CID 3532838) 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] 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
PubChem CID3532838
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H14ClN3O5S/c16-11-6-7-13(17-8-11)19-14(20)10-24-15(21)9-18-25(22,23)12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,17,19,20)
InChIKeyRKKGWKZXEZNDFI-UHFFFAOYSA-N
XLogP1.20
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596098
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate
CID 4832093
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 2414517
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 16599847
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520931
2-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)acetamide
CID 2985129
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2079261
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826786
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596471
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355006

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate (CID 3532838) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate is O=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The InChIKey is RKKGWKZXEZNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c16-11-6-7-13(17-8-11)19-14(20)10-24-15(21)9-18-25(22,23)12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,17,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate has a molecular weight of 383.81 g/mol, XLogP of 1.20, 7 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] 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 3532838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).