[3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone

C18H17Cl2NO2S — CID 33236781

IUPAC[3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(CSc2cc(Cl)ccc2Cl)c1)N1CCOCC1
InChIInChI=1S/C18H17Cl2NO2S/c19-15-4-5-16(20)17(11-15)24-12-13-2-1-3-14(10-13)18(22)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2
InChIKeyAEPWSSMYNWANDR-UHFFFAOYSA-N
MW382.31 g/mol
LogP4.76
Rot. Bonds4

About [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone

[3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 33236781) has the molecular formula C18H17Cl2NO2S and a molecular weight of 382.31 g/mol. Its IUPAC name is [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
PubChem CID33236781
Molecular FormulaC18H17Cl2NO2S
Molecular Weight382.31 g/mol
Exact Mass381.04
IUPAC Name[3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(CSc2cc(Cl)ccc2Cl)c1)N1CCOCC1
InChIInChI=1S/C18H17Cl2NO2S/c19-15-4-5-16(20)17(11-15)24-12-13-2-1-3-14(10-13)18(22)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2
InChIKeyAEPWSSMYNWANDR-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone (CID 33236781) is [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(CSc2cc(Cl)ccc2Cl)c1)N1CCOCC1.
What is the InChIKey of [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is AEPWSSMYNWANDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2S/c19-15-4-5-16(20)17(11-15)24-12-13-2-1-3-14(10-13)18(22)21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2.
What are the key properties of [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone?
[3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 382.31 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 33236781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).