N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide

C11H13N5O2S — CID 778482

IUPACN-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(NN)nc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H13N5O2S/c1-8-7-10(15-12)14-11(13-8)16-19(17,18)9-5-3-2-4-6-9/h2-7H,12H2,1H3,(H2,13,14,15,16)
InChIKeyLGSZZZYFJJSGEZ-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.87
Rot. Bonds4

About N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide

N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 778482) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID778482
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC NameN-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(NN)nc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H13N5O2S/c1-8-7-10(15-12)14-11(13-8)16-19(17,18)9-5-3-2-4-6-9/h2-7H,12H2,1H3,(H2,13,14,15,16)
InChIKeyLGSZZZYFJJSGEZ-UHFFFAOYSA-N
XLogP0.87
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 778482) is N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(NN)nc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is LGSZZZYFJJSGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-8-7-10(15-12)14-11(13-8)16-19(17,18)9-5-3-2-4-6-9/h2-7H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide?
N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 279.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 778482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).