(2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C18H16Cl2FNO5S — CID 2584324

IUPAC(2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H16Cl2FNO5S/c19-15-2-1-3-16(20)14(15)11-27-18(23)13-10-12(4-5-17(13)21)28(24,25)22-6-8-26-9-7-22/h1-5,10H,6-9,11H2
InChIKeySWDNUIOFLZCJAF-UHFFFAOYSA-N
MW448.30 g/mol
LogP3.51
Rot. Bonds5

About (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

(2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2584324) has the molecular formula C18H16Cl2FNO5S and a molecular weight of 448.30 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2584324
Molecular FormulaC18H16Cl2FNO5S
Molecular Weight448.30 g/mol
Exact Mass447.01
IUPAC Name(2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1c(Cl)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H16Cl2FNO5S/c19-15-2-1-3-16(20)14(15)11-27-18(23)13-10-12(4-5-17(13)21)28(24,25)22-6-8-26-9-7-22/h1-5,10H,6-9,11H2
InChIKeySWDNUIOFLZCJAF-UHFFFAOYSA-N
XLogP3.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 2584324) is (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCc1c(Cl)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is SWDNUIOFLZCJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO5S/c19-15-2-1-3-16(20)14(15)11-27-18(23)13-10-12(4-5-17(13)21)28(24,25)22-6-8-26-9-7-22/h1-5,10H,6-9,11H2.
What are the key properties of (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
(2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 448.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2584324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).