4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride

C19H19ClFNO5S — CID 177256778

IUPAC4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
SMILESO=C(C(OCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1
InChIInChI=1S/C19H19ClFNO5S/c20-16-5-1-14(2-6-16)13-27-18(19(23)22-9-11-26-12-10-22)15-3-7-17(8-4-15)28(21,24)25/h1-8,18H,9-13H2
InChIKeyVKDUTJZDJLWAHK-UHFFFAOYSA-N
MW427.88 g/mol
LogP3.11
Rot. Bonds6

About 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride

4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride (PubChem CID 177256778) has the molecular formula C19H19ClFNO5S and a molecular weight of 427.88 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
PubChem CID177256778
Molecular FormulaC19H19ClFNO5S
Molecular Weight427.88 g/mol
Exact Mass427.07
IUPAC Name4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
SMILESO=C(C(OCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1
InChIInChI=1S/C19H19ClFNO5S/c20-16-5-1-14(2-6-16)13-27-18(19(23)22-9-11-26-12-10-22)15-3-7-17(8-4-15)28(21,24)25/h1-8,18H,9-13H2
InChIKeyVKDUTJZDJLWAHK-UHFFFAOYSA-N
XLogP3.11
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.88
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride (CID 177256778) is 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride is O=C(C(OCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The InChIKey is VKDUTJZDJLWAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO5S/c20-16-5-1-14(2-6-16)13-27-18(19(23)22-9-11-26-12-10-22)15-3-7-17(8-4-15)28(21,24)25/h1-8,18H,9-13H2.
What are the key properties of 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride has a molecular weight of 427.88 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride is sourced from PubChem (CID 177256778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).