4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

C15H22N4O8S2 — CID 55571141

IUPAC4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N4O8S2/c1-26-13-2-3-15(14(12-13)19(20)21)28(22,23)16-4-6-17(7-5-16)29(24,25)18-8-10-27-11-9-18/h2-3,12H,4-11H2,1H3
InChIKeyJHVKOJQEFSTTEJ-UHFFFAOYSA-N
MW450.50 g/mol
LogP-0.51
Rot. Bonds6

About 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (PubChem CID 55571141) has the molecular formula C15H22N4O8S2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
PubChem CID55571141
Molecular FormulaC15H22N4O8S2
Molecular Weight450.50 g/mol
Exact Mass450.09
IUPAC Name4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H22N4O8S2/c1-26-13-2-3-15(14(12-13)19(20)21)28(22,23)16-4-6-17(7-5-16)29(24,25)18-8-10-27-11-9-18/h2-3,12H,4-11H2,1H3
InChIKeyJHVKOJQEFSTTEJ-UHFFFAOYSA-N
XLogP-0.51
TPSA139.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 5-0.51
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

1-[4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 31758345
4-(4-methoxy-2-nitrophenyl)sulfonyl-1,4-thiazepane
CID 71941403
1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine
CID 65244885
(3R)-1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-3-amine
CID 28540026
(3R)-1-(4-methoxy-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-one
CID 99786942
(4-morpholin-4-ylsulfonyl-3-nitrophenyl)hydrazine
CID 43325275
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
1-(4-methoxy-2-nitrophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 31066314
2-(4-methoxy-2-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718587
4-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylmorpholine
CID 4225229
4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
CID 71671443
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (CID 55571141) is 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The InChIKey is JHVKOJQEFSTTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O8S2/c1-26-13-2-3-15(14(12-13)19(20)21)28(22,23)16-4-6-17(7-5-16)29(24,25)18-8-10-27-11-9-18/h2-3,12H,4-11H2,1H3.
What are the key properties of 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine has a molecular weight of 450.50 g/mol, XLogP of -0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 55571141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).