N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine

C14H14N2O3S — CID 151805326

IUPACN-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine
SMILESC=Nc1cc(Oc2cccnc2)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C14H14N2O3S/c1-10-7-14(20(3,17)18)13(8-12(10)15-2)19-11-5-4-6-16-9-11/h4-9H,2H2,1,3H3
InChIKeyRZMFEJAXXDEZRK-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.92
Rot. Bonds4

About N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine

N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine (PubChem CID 151805326) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine
PubChem CID151805326
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine
SMILESC=Nc1cc(Oc2cccnc2)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C14H14N2O3S/c1-10-7-14(20(3,17)18)13(8-12(10)15-2)19-11-5-4-6-16-9-11/h4-9H,2H2,1,3H3
InChIKeyRZMFEJAXXDEZRK-UHFFFAOYSA-N
XLogP2.92
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-pyridin-3-yloxybenzamide
CID 10642392
2-methyl-3-pyridin-3-yloxypyridine
CID 172764474
methanesulfonic acid;3-(3-methylphenoxy)pyridine
CID 117068642
3-[2-bromo-4-(methylsulfonylmethyl)phenoxy]pyridine
CID 139341736
3-(4-isocyanato-2-methoxyphenoxy)pyridine
CID 169354283
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
(3-methyl-4-pyridin-3-yloxyphenyl)methanol
CID 62124917
3-(4-azido-2-methoxyphenoxy)pyridine
CID 152567738
3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
CID 43162717
N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
CID 90018711
ethane;4-methyl-3-methylsulfonylpyridine
CID 142044730
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine?
The IUPAC name of N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine (CID 151805326) is N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine.
What is the SMILES notation for N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine?
The canonical SMILES for N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine is C=Nc1cc(Oc2cccnc2)c(S(C)(=O)=O)cc1C.
What is the InChIKey of N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine?
The InChIKey is RZMFEJAXXDEZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10-7-14(20(3,17)18)13(8-12(10)15-2)19-11-5-4-6-16-9-11/h4-9H,2H2,1,3H3.
What are the key properties of N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine?
N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine has a molecular weight of 290.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine is sourced from PubChem (CID 151805326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).