N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide

C17H15N5O2S — CID 25035369

IUPACN-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccncc3)cc2)n1
InChIInChI=1S/C17H15N5O2S/c1-13-6-11-19-17(21-13)22-25(23,24)16-4-2-15(3-5-16)20-12-14-7-9-18-10-8-14/h2-12H,1H3,(H,19,21,22)/b20-12+
InChIKeyKHWOVWWNLMJTNZ-UDWIEESQSA-N
MW353.41 g/mol
LogP2.73
Rot. Bonds5

About N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide

N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide (PubChem CID 25035369) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide
PubChem CID25035369
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccncc3)cc2)n1
InChIInChI=1S/C17H15N5O2S/c1-13-6-11-19-17(21-13)22-25(23,24)16-4-2-15(3-5-16)20-12-14-7-9-18-10-8-14/h2-12H,1H3,(H,19,21,22)/b20-12+
InChIKeyKHWOVWWNLMJTNZ-UDWIEESQSA-N
XLogP2.73
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 23276786
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone
CID 139196182
N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 4266689
4-[[methylidene-(3-methylphenyl)-oxo-lambda6-sulfanyl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 3315871
4-(2-cyanoethylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 39311105
4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 135565183
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1312196

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide (CID 25035369) is N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccncc3)cc2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide?
The InChIKey is KHWOVWWNLMJTNZ-UDWIEESQSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-13-6-11-19-17(21-13)22-25(23,24)16-4-2-15(3-5-16)20-12-14-7-9-18-10-8-14/h2-12H,1H3,(H,19,21,22)/b20-12+.
What are the key properties of N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide?
N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide has a molecular weight of 353.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-4-(pyridin-4-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 25035369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).