N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide

C19H19N5O3S — CID 135517069

IUPACN-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(N/N=C/c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C19H19N5O3S/c1-13-3-9-17(10-4-13)28(26,27)24-19-21-14(2)11-18(22-19)23-20-12-15-5-7-16(25)8-6-15/h3-12,25H,1-2H3,(H2,21,22,23,24)/b20-12+
InChIKeyUEKOJIRGMNYPMZ-UDWIEESQSA-N
MW397.46 g/mol
LogP3.05
Rot. Bonds6

About N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide

N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 135517069) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
PubChem CID135517069
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(N/N=C/c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C19H19N5O3S/c1-13-3-9-17(10-4-13)28(26,27)24-19-21-14(2)11-18(22-19)23-20-12-15-5-7-16(25)8-6-15/h3-12,25H,1-2H3,(H2,21,22,23,24)/b20-12+
InChIKeyUEKOJIRGMNYPMZ-UDWIEESQSA-N
XLogP3.05
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide (CID 135517069) is N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)cc(N/N=C/c3ccc(O)cc3)n2)cc1.
What is the InChIKey of N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is UEKOJIRGMNYPMZ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-13-3-9-17(10-4-13)28(26,27)24-19-21-14(2)11-18(22-19)23-20-12-15-5-7-16(25)8-6-15/h3-12,25H,1-2H3,(H2,21,22,23,24)/b20-12+.
What are the key properties of N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide?
N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135517069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).