[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone

C18H18ClNO2S — CID 824493

IUPAC[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCOCC1
InChIInChI=1S/C18H18ClNO2S/c19-16-5-7-17(8-6-16)23-13-14-1-3-15(4-2-14)18(21)20-9-11-22-12-10-20/h1-8H,9-13H2
InChIKeyNHNVDTFKTKGEEU-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.10
Rot. Bonds4

About [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone

[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 824493) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
PubChem CID824493
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC Name[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCOCC1
InChIInChI=1S/C18H18ClNO2S/c19-16-5-7-17(8-6-16)23-13-14-1-3-15(4-2-14)18(21)20-9-11-22-12-10-20/h1-8H,9-13H2
InChIKeyNHNVDTFKTKGEEU-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone (CID 824493) is [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCOCC1.
What is the InChIKey of [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is NHNVDTFKTKGEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c19-16-5-7-17(8-6-16)23-13-14-1-3-15(4-2-14)18(21)20-9-11-22-12-10-20/h1-8H,9-13H2.
What are the key properties of [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone?
[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 347.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 824493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).