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

C18H17N5O3S — CID 135497983

IUPACN-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
SMILESCc1cc(N/N=C/c2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H17N5O3S/c1-13-11-17(22-19-12-14-7-9-15(24)10-8-14)21-18(20-13)23-27(25,26)16-5-3-2-4-6-16/h2-12,24H,1H3,(H2,20,21,22,23)/b19-12+
InChIKeyGHIMYBVOYLWWGQ-XDHOZWIPSA-N
MW383.43 g/mol
LogP2.74
Rot. Bonds6

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

N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide (PubChem CID 135497983) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
PubChem CID135497983
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
SMILESCc1cc(N/N=C/c2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H17N5O3S/c1-13-11-17(22-19-12-14-7-9-15(24)10-8-14)21-18(20-13)23-27(25,26)16-5-3-2-4-6-16/h2-12,24H,1H3,(H2,20,21,22,23)/b19-12+
InChIKeyGHIMYBVOYLWWGQ-XDHOZWIPSA-N
XLogP2.74
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.74
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]benzenesulfonamide?
The IUPAC name of N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide (CID 135497983) is N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide is Cc1cc(N/N=C/c2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
The InChIKey is GHIMYBVOYLWWGQ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-13-11-17(22-19-12-14-7-9-15(24)10-8-14)21-18(20-13)23-27(25,26)16-5-3-2-4-6-16/h2-12,24H,1H3,(H2,20,21,22,23)/b19-12+.
What are the key properties of N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide?
N-[4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 2.74, 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]benzenesulfonamide is sourced from PubChem (CID 135497983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).