4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine

C18H20ClNO4S — CID 9354119

IUPAC4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
SMILESCc1ccc(Cl)c(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H20ClNO4S/c1-14-5-6-17(19)18(11-14)24-13-15-3-2-4-16(12-15)25(21,22)20-7-9-23-10-8-20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyFUABHEQZMCIGPJ-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.25
Rot. Bonds5

About 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine

4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine (PubChem CID 9354119) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
PubChem CID9354119
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
SMILESCc1ccc(Cl)c(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H20ClNO4S/c1-14-5-6-17(19)18(11-14)24-13-15-3-2-4-16(12-15)25(21,22)20-7-9-23-10-8-20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyFUABHEQZMCIGPJ-UHFFFAOYSA-N
XLogP3.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(2-chloro-5-methylphenoxy)methyl]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-[3-[(2-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 38879019
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(2-chloro-5-methylphenyl) 4-morpholin-4-ylsulfonylbenzoate
CID 7749830
1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
CID 8531809
4-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804834
1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
CID 7542694
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine
CID 7458388
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
CID 7750422
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
[4-(benzenesulfonyl)piperazin-1-yl]-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19488938

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine (CID 9354119) is 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine is Cc1ccc(Cl)c(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine?
The InChIKey is FUABHEQZMCIGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-14-5-6-17(19)18(11-14)24-13-15-3-2-4-16(12-15)25(21,22)20-7-9-23-10-8-20/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine?
4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine has a molecular weight of 381.88 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 9354119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).