[2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

C16H18Cl2N2O6S — CID 4681219

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C16H18Cl2N2O6S/c17-12-8-13(18)14(27(23,24)20-3-5-25-6-4-20)7-11(12)16(22)26-9-15(21)19-10-1-2-10/h7-8,10H,1-6,9H2,(H,19,21)
InChIKeyXDTPZPXPMQEYRK-UHFFFAOYSA-N
MW437.30 g/mol
LogP1.45
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 4681219) has the molecular formula C16H18Cl2N2O6S and a molecular weight of 437.30 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID4681219
Molecular FormulaC16H18Cl2N2O6S
Molecular Weight437.30 g/mol
Exact Mass436.03
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C16H18Cl2N2O6S/c17-12-8-13(18)14(27(23,24)20-3-5-25-6-4-20)7-11(12)16(22)26-9-15(21)19-10-1-2-10/h7-8,10H,1-6,9H2,(H,19,21)
InChIKeyXDTPZPXPMQEYRK-UHFFFAOYSA-N
XLogP1.45
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (CID 4681219) is [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is XDTPZPXPMQEYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O6S/c17-12-8-13(18)14(27(23,24)20-3-5-25-6-4-20)7-11(12)16(22)26-9-15(21)19-10-1-2-10/h7-8,10H,1-6,9H2,(H,19,21).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 437.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 4681219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).