[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C19H19IN2O6S — CID 2353513

IUPAC[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C19H19IN2O6S/c20-15-3-5-16(6-4-15)21-18(23)13-28-19(24)14-1-7-17(8-2-14)29(25,26)22-9-11-27-12-10-22/h1-8H,9-13H2,(H,21,23)
InChIKeyCNDCGBFKAMWOOJ-UHFFFAOYSA-N
MW530.34 g/mol
LogP2.11
Rot. Bonds6

About [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 2353513) has the molecular formula C19H19IN2O6S and a molecular weight of 530.34 g/mol. Its IUPAC name is [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID2353513
Molecular FormulaC19H19IN2O6S
Molecular Weight530.34 g/mol
Exact Mass530.00
IUPAC Name[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C19H19IN2O6S/c20-15-3-5-16(6-4-15)21-18(23)13-28-19(24)14-1-7-17(8-2-14)29(25,26)22-9-11-27-12-10-22/h1-8H,9-13H2,(H,21,23)
InChIKeyCNDCGBFKAMWOOJ-UHFFFAOYSA-N
XLogP2.11
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530744
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 8705268
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314449
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025
[2-(2-methylpropylamino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 4843377
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966286
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527536

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 2353513) is [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1.
What is the InChIKey of [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is CNDCGBFKAMWOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O6S/c20-15-3-5-16(6-4-15)21-18(23)13-28-19(24)14-1-7-17(8-2-14)29(25,26)22-9-11-27-12-10-22/h1-8H,9-13H2,(H,21,23).
What are the key properties of [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 530.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2353513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).