4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine

C16H14ClN3O8S — CID 24507974

IUPAC4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H14ClN3O8S/c17-11-1-3-14(13(9-11)20(23)24)28-15-4-2-12(19(21)22)10-16(15)29(25,26)18-5-7-27-8-6-18/h1-4,9-10H,5-8H2
InChIKeyNZBXCHZQRYJDCQ-UHFFFAOYSA-N
MW443.82 g/mol
LogP2.97
Rot. Bonds6

About 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine

4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine (PubChem CID 24507974) has the molecular formula C16H14ClN3O8S and a molecular weight of 443.82 g/mol. Its IUPAC name is 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine
PubChem CID24507974
Molecular FormulaC16H14ClN3O8S
Molecular Weight443.82 g/mol
Exact Mass443.02
IUPAC Name4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H14ClN3O8S/c17-11-1-3-14(13(9-11)20(23)24)28-15-4-2-12(19(21)22)10-16(15)29(25,26)18-5-7-27-8-6-18/h1-4,9-10H,5-8H2
InChIKeyNZBXCHZQRYJDCQ-UHFFFAOYSA-N
XLogP2.97
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

2-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)benzonitrile
CID 3677173
4-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylmorpholine
CID 4225229
3-methoxy-4-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)benzaldehyde
CID 24507826
4,8-dimethyl-7-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)chromen-2-one
CID 26436675
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
[1-(3-chlorophenyl)-4-methyl-5-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 83276455
4-(2-ethyl-5-nitrophenyl)sulfonylmorpholine
CID 47454150
4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 71905324
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 6737155
1-[2-(5-methyl-2-nitrophenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260842

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine (CID 24507974) is 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine is O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine?
The InChIKey is NZBXCHZQRYJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O8S/c17-11-1-3-14(13(9-11)20(23)24)28-15-4-2-12(19(21)22)10-16(15)29(25,26)18-5-7-27-8-6-18/h1-4,9-10H,5-8H2.
What are the key properties of 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine?
4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine has a molecular weight of 443.82 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2-nitrophenoxy)-5-nitrophenyl]sulfonylmorpholine is sourced from PubChem (CID 24507974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).