3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide

C19H22ClN3O5S — CID 55464238

IUPAC3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide
SMILESN/C(=N/OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O5S/c20-16-3-1-2-15(14-16)19(21)22-28-13-12-27-17-4-6-18(7-5-17)29(24,25)23-8-10-26-11-9-23/h1-7,14H,8-13H2,(H2,21,22)
InChIKeyUUFSJYYRPYZSPV-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.08
Rot. Bonds8

About 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide

3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide (PubChem CID 55464238) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide
PubChem CID55464238
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Name3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide
SMILESN/C(=N/OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O5S/c20-16-3-1-2-15(14-16)19(21)22-28-13-12-27-17-4-6-18(7-5-17)29(24,25)23-8-10-26-11-9-23/h1-7,14H,8-13H2,(H2,21,22)
InChIKeyUUFSJYYRPYZSPV-UHFFFAOYSA-N
XLogP2.08
TPSA103.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine
CID 26021608
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 7699330
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865
2-(4-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine
CID 67046009
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide (CID 55464238) is 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide is N/C(=N/OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide?
The InChIKey is UUFSJYYRPYZSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c20-16-3-1-2-15(14-16)19(21)22-28-13-12-27-17-4-6-18(7-5-17)29(24,25)23-8-10-26-11-9-23/h1-7,14H,8-13H2,(H2,21,22).
What are the key properties of 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide?
3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide has a molecular weight of 439.92 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 55464238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).