4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide

C19H17N3O2S — CID 6383602

IUPAC4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C19H17N3O2S/c1-15-7-9-18(10-8-15)25(23,24)22-21-19(16-5-3-2-4-6-16)17-11-13-20-14-12-17/h2-14,22H,1H3/b21-19+
InChIKeyVOBXHQOYZJFEJW-XUTLUUPISA-N
MW351.43 g/mol
LogP3.12
Rot. Bonds5

About 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide

4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide (PubChem CID 6383602) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
PubChem CID6383602
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C19H17N3O2S/c1-15-7-9-18(10-8-15)25(23,24)22-21-19(16-5-3-2-4-6-16)17-11-13-20-14-12-17/h2-14,22H,1H3/b21-19+
InChIKeyVOBXHQOYZJFEJW-XUTLUUPISA-N
XLogP3.12
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide
CID 16748552
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
4-methyl-N-[[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-phenylmethylidene]amino]benzenesulfonamide
CID 1039693
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
methyl N-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanehydrazonate
CID 118198075
4-bromo-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzenesulfonamide
CID 6515871

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide (CID 6383602) is 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide?
The InChIKey is VOBXHQOYZJFEJW-XUTLUUPISA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-15-7-9-18(10-8-15)25(23,24)22-21-19(16-5-3-2-4-6-16)17-11-13-20-14-12-17/h2-14,22H,1H3/b21-19+.
What are the key properties of 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide?
4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide is sourced from PubChem (CID 6383602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).