[3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone

C19H21NO4S — CID 2232266

IUPAC[3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H21NO4S/c1-15-5-7-18(8-6-15)25(22,23)14-16-3-2-4-17(13-16)19(21)20-9-11-24-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKeyVNFGYBJTDUIURK-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.44
Rot. Bonds4

About [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone

[3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 2232266) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone
PubChem CID2232266
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name[3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H21NO4S/c1-15-5-7-18(8-6-15)25(22,23)14-16-3-2-4-17(13-16)19(21)20-9-11-24-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKeyVNFGYBJTDUIURK-UHFFFAOYSA-N
XLogP2.44
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone (CID 2232266) is [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VNFGYBJTDUIURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-15-5-7-18(8-6-15)25(22,23)14-16-3-2-4-17(13-16)19(21)20-9-11-24-12-10-20/h2-8,13H,9-12,14H2,1H3.
What are the key properties of [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone?
[3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 359.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2232266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).