N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine

C28H30N4O6S2 — CID 4105745

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2cccc(/C=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1)N1CCOCC1
InChIInChI=1S/C28H30N4O6S2/c33-39(34,31-12-16-37-17-13-31)27-8-4-25(5-9-27)29-21-23-2-1-3-24(20-23)22-30-26-6-10-28(11-7-26)40(35,36)32-14-18-38-19-15-32/h1-11,20-22H,12-19H2/b29-21+,30-22+
InChIKeyAFJJMAHKSGAGCD-VFIVCBTMSA-N
MW582.70 g/mol
LogP3.23
Rot. Bonds8

About N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine

N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine (PubChem CID 4105745) has the molecular formula C28H30N4O6S2 and a molecular weight of 582.70 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
PubChem CID4105745
Molecular FormulaC28H30N4O6S2
Molecular Weight582.70 g/mol
Exact Mass582.16
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
SMILESO=S(=O)(c1ccc(/N=C/c2cccc(/C=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1)N1CCOCC1
InChIInChI=1S/C28H30N4O6S2/c33-39(34,31-12-16-37-17-13-31)27-8-4-25(5-9-27)29-21-23-2-1-3-24(20-23)22-30-26-6-10-28(11-7-26)40(35,36)32-14-18-38-19-15-32/h1-11,20-22H,12-19H2/b29-21+,30-22+
InChIKeyAFJJMAHKSGAGCD-VFIVCBTMSA-N
XLogP3.23
TPSA117.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.70
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 3494713
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 5155606
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 4511482
4-(4-ethenylphenyl)sulfonylmorpholine
CID 175115555
5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 135812287
6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]-1-phenylpyrimidine-2,4-dione
CID 2878941
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine (CID 4105745) is N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine is O=S(=O)(c1ccc(/N=C/c2cccc(/C=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1)N1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine?
The InChIKey is AFJJMAHKSGAGCD-VFIVCBTMSA-N. The full InChI is InChI=1S/C28H30N4O6S2/c33-39(34,31-12-16-37-17-13-31)27-8-4-25(5-9-27)29-21-23-2-1-3-24(20-23)22-30-26-6-10-28(11-7-26)40(35,36)32-14-18-38-19-15-32/h1-11,20-22H,12-19H2/b29-21+,30-22+.
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine?
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine has a molecular weight of 582.70 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine is sourced from PubChem (CID 4105745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).