4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine

C18H21NO4S — CID 9332672

IUPAC4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
SMILESCc1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C18H21NO4S/c1-15-3-2-4-16(13-15)14-23-17-5-7-18(8-6-17)24(20,21)19-9-11-22-12-10-19/h2-8,13H,9-12,14H2,1H3
InChIKeyFMMNQHHOZBDUAW-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.59
Rot. Bonds5

About 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine

4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine (PubChem CID 9332672) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
PubChem CID9332672
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
SMILESCc1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C18H21NO4S/c1-15-3-2-4-16(13-15)14-23-17-5-7-18(8-6-17)24(20,21)19-9-11-22-12-10-19/h2-8,13H,9-12,14H2,1H3
InChIKeyFMMNQHHOZBDUAW-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 55578358
4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
CID 9354119
1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
CID 7542694
4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 1300600
4-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]sulfonylmorpholine
CID 39413047
4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
CID 8531809
4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
CID 39413041
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
CID 9331544

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine (CID 9332672) is 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine is Cc1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine?
The InChIKey is FMMNQHHOZBDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-15-3-2-4-16(13-15)14-23-17-5-7-18(8-6-17)24(20,21)19-9-11-22-12-10-19/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine?
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine has a molecular weight of 347.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 9332672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).