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

C12H15N5O3S — CID 107601008

IUPAC2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccccc2NN)n1
InChIInChI=1S/C12H15N5O3S/c1-8-7-11(20-2)15-12(14-8)17-21(18,19)10-6-4-3-5-9(10)16-13/h3-7,16H,13H2,1-2H3,(H,14,15,17)
InChIKeyRBAQEYBDCRFLGV-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.88
Rot. Bonds5

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

2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 107601008) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID107601008
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccccc2NN)n1
InChIInChI=1S/C12H15N5O3S/c1-8-7-11(20-2)15-12(14-8)17-21(18,19)10-6-4-3-5-9(10)16-13/h3-7,16H,13H2,1-2H3,(H,14,15,17)
InChIKeyRBAQEYBDCRFLGV-UHFFFAOYSA-N
XLogP0.88
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-hydrazinyl-N-(4-methoxy-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

Related Compounds

2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-sulfonamide
CID 107603209
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 104599534
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
2-amino-5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 107603212
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601166
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 107600424

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 107601008) is 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccccc2NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is RBAQEYBDCRFLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-7-11(20-2)15-12(14-8)17-21(18,19)10-6-4-3-5-9(10)16-13/h3-7,16H,13H2,1-2H3,(H,14,15,17).
What are the key properties of 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 107601008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).