N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide

C19H19N5O3S — CID 3700231

IUPACN-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
SMILESCOc1ccc(C=NNc2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N5O3S/c1-14-12-18(23-20-13-15-8-10-16(27-2)11-9-15)22-19(21-14)24-28(25,26)17-6-4-3-5-7-17/h3-13H,1-2H3,(H2,21,22,23,24)
InChIKeyWPPDEJRWGGGVLP-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.04
Rot. Bonds7

About N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide

N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide (PubChem CID 3700231) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
PubChem CID3700231
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
SMILESCOc1ccc(C=NNc2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N5O3S/c1-14-12-18(23-20-13-15-8-10-16(27-2)11-9-15)22-19(21-14)24-28(25,26)17-6-4-3-5-7-17/h3-13H,1-2H3,(H2,21,22,23,24)
InChIKeyWPPDEJRWGGGVLP-UHFFFAOYSA-N
XLogP3.04
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-chloro-N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
CID 3740723
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
N-[4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]phenyl]-4-methylbenzenesulfonamide
CID 21237396
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634
4-N-(4-chlorophenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
CID 143789926
3-fluoro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478724
4-chloro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478598
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(methylsulfonylmethyl)quinoxalin-2-amine
CID 177392301
6-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyrimidin-4-amine
CID 5338791
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide (CID 3700231) is N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide is COc1ccc(C=NNc2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
The InChIKey is WPPDEJRWGGGVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-14-12-18(23-20-13-15-8-10-16(27-2)11-9-15)22-19(21-14)24-28(25,26)17-6-4-3-5-7-17/h3-13H,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 3700231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).