(NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide

C19H16N2OS — CID 177496834

IUPAC(NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide
SMILESCc1ccc(S(=O)/N=C(/c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C19H16N2OS/c1-15-10-12-17(13-11-15)23(22)21-19(16-7-3-2-4-8-16)18-9-5-6-14-20-18/h2-14H,1H3/b21-19-
InChIKeyBXWVUQOKQVMDSE-VZCXRCSSSA-N
MW320.42 g/mol
LogP3.95
Rot. Bonds4

About (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide

(NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide (PubChem CID 177496834) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide
PubChem CID177496834
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name(NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide
SMILESCc1ccc(S(=O)/N=C(/c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C19H16N2OS/c1-15-10-12-17(13-11-15)23(22)21-19(16-7-3-2-4-8-16)18-9-5-6-14-20-18/h2-14H,1H3/b21-19-
InChIKeyBXWVUQOKQVMDSE-VZCXRCSSSA-N
XLogP3.95
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
CID 90750813
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
(NZ)-N-[(4-methylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 137283196
1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]phenyl]methyl]phenyl]-1-pyridin-2-ylmethanimine
CID 86041704
N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine
CID 137247686
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide?
The IUPAC name of (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide (CID 177496834) is (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide.
What is the SMILES notation for (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide?
The canonical SMILES for (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide is Cc1ccc(S(=O)/N=C(/c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide?
The InChIKey is BXWVUQOKQVMDSE-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-15-10-12-17(13-11-15)23(22)21-19(16-7-3-2-4-8-16)18-9-5-6-14-20-18/h2-14H,1H3/b21-19-.
What are the key properties of (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide?
(NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide has a molecular weight of 320.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide is sourced from PubChem (CID 177496834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).