[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

C19H19ClN2O6S — CID 55313533

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O6S/c20-15-4-2-5-16(12-15)21-18(23)13-28-19(24)14-3-1-6-17(11-14)29(25,26)22-7-9-27-10-8-22/h1-6,11-12H,7-10,13H2,(H,21,23)
InChIKeyRSHMYZVUHSWVFY-UHFFFAOYSA-N
MW438.89 g/mol
LogP2.16
Rot. Bonds6

About [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 55313533) has the molecular formula C19H19ClN2O6S and a molecular weight of 438.89 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID55313533
Molecular FormulaC19H19ClN2O6S
Molecular Weight438.89 g/mol
Exact Mass438.07
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O6S/c20-15-4-2-5-16(12-15)21-18(23)13-28-19(24)14-3-1-6-17(11-14)29(25,26)22-7-9-27-10-8-22/h1-6,11-12H,7-10,13H2,(H,21,23)
InChIKeyRSHMYZVUHSWVFY-UHFFFAOYSA-N
XLogP2.16
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854118
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521625
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-nitrobenzoate
CID 4687464
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 55314726
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 4837621
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 55315274
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,5-dichlorobenzoate
CID 16523259
(2-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 2545206
[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 8705268
[2-oxo-2-(propylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699376
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313549
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 4853968

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 55313533) is [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is RSHMYZVUHSWVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O6S/c20-15-4-2-5-16(12-15)21-18(23)13-28-19(24)14-3-1-6-17(11-14)29(25,26)22-7-9-27-10-8-22/h1-6,11-12H,7-10,13H2,(H,21,23).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 438.89 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 55313533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).