4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine

C17H16Cl2N2O6S — CID 71905324

IUPAC4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O6S/c18-13-2-1-12(15(19)9-13)11-27-17-4-3-14(10-16(17)21(22)23)28(24,25)20-5-7-26-8-6-20/h1-4,9-10H,5-8,11H2
InChIKeySOISUSHPNYWVIV-UHFFFAOYSA-N
MW447.30 g/mol
LogP3.50
Rot. Bonds6

About 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine

4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine (PubChem CID 71905324) has the molecular formula C17H16Cl2N2O6S and a molecular weight of 447.30 g/mol. Its IUPAC name is 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
PubChem CID71905324
Molecular FormulaC17H16Cl2N2O6S
Molecular Weight447.30 g/mol
Exact Mass446.01
IUPAC Name4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O6S/c18-13-2-1-12(15(19)9-13)11-27-17-4-3-14(10-16(17)21(22)23)28(24,25)20-5-7-26-8-6-20/h1-4,9-10H,5-8,11H2
InChIKeySOISUSHPNYWVIV-UHFFFAOYSA-N
XLogP3.50
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine
CID 3941390
4-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804834
4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804832
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
CID 7229733
4-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylmorpholine
CID 7290604
4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
4-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804833
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine
CID 24507974
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
1-[4-[2-(2-chlorophenoxy)ethoxy]-3-nitrophenyl]sulfonylpyrrolidine
CID 3412411

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine (CID 71905324) is 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine?
The InChIKey is SOISUSHPNYWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O6S/c18-13-2-1-12(15(19)9-13)11-27-17-4-3-14(10-16(17)21(22)23)28(24,25)20-5-7-26-8-6-20/h1-4,9-10H,5-8,11H2.
What are the key properties of 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine?
4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine has a molecular weight of 447.30 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine is sourced from PubChem (CID 71905324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).