2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol

C18H20N2O4S — CID 135817986

IUPAC2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol
SMILESO=S(=O)(c1ccc(C/N=C/c2ccccc2O)cc1)N1CCOCC1
InChIInChI=1S/C18H20N2O4S/c21-18-4-2-1-3-16(18)14-19-13-15-5-7-17(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8,14,21H,9-13H2/b19-14+
InChIKeyJMXFEEUOBNXXAC-XMHGGMMESA-N
MW360.44 g/mol
LogP2.03
Rot. Bonds5

About 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol

2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol (PubChem CID 135817986) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol
PubChem CID135817986
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol
SMILESO=S(=O)(c1ccc(C/N=C/c2ccccc2O)cc1)N1CCOCC1
InChIInChI=1S/C18H20N2O4S/c21-18-4-2-1-3-16(18)14-19-13-15-5-7-17(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8,14,21H,9-13H2/b19-14+
InChIKeyJMXFEEUOBNXXAC-XMHGGMMESA-N
XLogP2.03
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2351057
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-(2-nitrophenyl)methylideneamino]propanamide
CID 42991453
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991466
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 136879316
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
2-morpholin-4-ylsulfonylphenol
CID 79020270
5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 135812287
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol?
The IUPAC name of 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol (CID 135817986) is 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol.
What is the SMILES notation for 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol?
The canonical SMILES for 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol is O=S(=O)(c1ccc(C/N=C/c2ccccc2O)cc1)N1CCOCC1.
What is the InChIKey of 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol?
The InChIKey is JMXFEEUOBNXXAC-XMHGGMMESA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18-4-2-1-3-16(18)14-19-13-15-5-7-17(8-6-15)25(22,23)20-9-11-24-12-10-20/h1-8,14,21H,9-13H2/b19-14+.
What are the key properties of 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol?
2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol has a molecular weight of 360.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol is sourced from PubChem (CID 135817986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).