N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine

C17H19N3O4S — CID 23763226

IUPACN-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1/N=C/c1ccncc1
InChIInChI=1S/C17H19N3O4S/c1-23-17-12-15(25(21,22)20-8-10-24-11-9-20)2-3-16(17)19-13-14-4-6-18-7-5-14/h2-7,12-13H,8-11H2,1H3/b19-13+
InChIKeyBJEGAKLIDXBLEC-CPNJWEJPSA-N
MW361.42 g/mol
LogP1.86
Rot. Bonds5

About N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine

N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine (PubChem CID 23763226) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine
PubChem CID23763226
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1/N=C/c1ccncc1
InChIInChI=1S/C17H19N3O4S/c1-23-17-12-15(25(21,22)20-8-10-24-11-9-20)2-3-16(17)19-13-14-4-6-18-7-5-14/h2-7,12-13H,8-11H2,1H3/b19-13+
InChIKeyBJEGAKLIDXBLEC-CPNJWEJPSA-N
XLogP1.86
TPSA81.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
CID 23850129
1-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 3494713
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 5155606
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
4-(3-isothiocyanato-4-methoxyphenyl)sulfonylmorpholine
CID 86665423
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 2351511
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
(E)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 39443903
1-(4-fluorophenyl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanimine
CID 4277694

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine (CID 23763226) is N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine is COc1cc(S(=O)(=O)N2CCOCC2)ccc1/N=C/c1ccncc1.
What is the InChIKey of N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine?
The InChIKey is BJEGAKLIDXBLEC-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-23-17-12-15(25(21,22)20-8-10-24-11-9-20)2-3-16(17)19-13-14-4-6-18-7-5-14/h2-7,12-13H,8-11H2,1H3/b19-13+.
What are the key properties of N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine?
N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine has a molecular weight of 361.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 23763226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).