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

C18H21NO4S — CID 9331341

IUPAC4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
SMILESCc1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-15-2-4-16(5-3-15)14-23-17-6-8-18(9-7-17)24(20,21)19-10-12-22-13-11-19/h2-9H,10-14H2,1H3
InChIKeyTZHSNUITPIYCQM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.59
Rot. Bonds5

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

4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine (PubChem CID 9331341) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
PubChem CID9331341
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
SMILESCc1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-15-2-4-16(5-3-15)14-23-17-6-8-18(9-7-17)24(20,21)19-10-12-22-13-11-19/h2-9H,10-14H2,1H3
InChIKeyTZHSNUITPIYCQM-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

Analyze 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 1300600
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-[4-[[4-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]sulfonylmorpholine
CID 167474114
(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832
4-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]sulfonylmorpholine
CID 39413047
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
CID 39413041
1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
CID 7542694
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine (CID 9331341) is 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine is Cc1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine?
The InChIKey is TZHSNUITPIYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-15-2-4-16(5-3-15)14-23-17-6-8-18(9-7-17)24(20,21)19-10-12-22-13-11-19/h2-9H,10-14H2,1H3.
What are the key properties of 4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine?
4-[4-[(4-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-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 9331341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).