[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone

C17H18ClNO4S — CID 20899400

IUPAC[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CS(=O)Cc2ccccc2Cl)o1)N1CCOCC1
InChIInChI=1S/C17H18ClNO4S/c18-15-4-2-1-3-13(15)11-24(21)12-14-5-6-16(23-14)17(20)19-7-9-22-10-8-19/h1-6H,7-12H2
InChIKeyCEUBBBDYGOXBQA-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.85
Rot. Bonds5

About [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone

[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 20899400) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID20899400
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CS(=O)Cc2ccccc2Cl)o1)N1CCOCC1
InChIInChI=1S/C17H18ClNO4S/c18-15-4-2-1-3-13(15)11-24(21)12-14-5-6-16(23-14)17(20)19-7-9-22-10-8-19/h1-6H,7-12H2
InChIKeyCEUBBBDYGOXBQA-UHFFFAOYSA-N
XLogP2.85
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone (CID 20899400) is [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone is O=C(c1ccc(CS(=O)Cc2ccccc2Cl)o1)N1CCOCC1.
What is the InChIKey of [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CEUBBBDYGOXBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c18-15-4-2-1-3-13(15)11-24(21)12-14-5-6-16(23-14)17(20)19-7-9-22-10-8-19/h1-6H,7-12H2.
What are the key properties of [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 367.85 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)methylsulfinylmethyl]furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 20899400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).