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'}

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Related Compounds

Sulfadimethoxine
CID 5323
Sulfametomidine
CID 19596
Sulphamoprine
CID 94924
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 742822
Sulfadimethoxine Sodium
CID 13384041
N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778472
Sulfadimethoxine-d6
CID 71312411
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 649460
N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 767951
2,2,2-trifluoro-N-[2-({[(6-methoxy-4-methylpyrimidin-2-yl)amino]carbonylamino} sulfonyl)phenyl]acetamide
CID 1270212

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).