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

C12H15N5O2S — CID 778494

IUPACN-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(NN)n2)cc1
InChIInChI=1S/C12H15N5O2S/c1-8-3-5-10(6-4-8)20(18,19)17-12-14-9(2)7-11(15-12)16-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyDYHHNDZNQXGJSI-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.18
Rot. Bonds4

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

N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 778494) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID778494
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(NN)n2)cc1
InChIInChI=1S/C12H15N5O2S/c1-8-3-5-10(6-4-8)20(18,19)17-12-14-9(2)7-11(15-12)16-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyDYHHNDZNQXGJSI-UHFFFAOYSA-N
XLogP1.18
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.18
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'}

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Related Compounds

Desaminosulfamethazine
CID 188299
N-(4-hydrazinyl-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 778482
4-chloro-N-(4-hydrazinyl-6-methyl-2-pyrimidinyl)benzenesulfonamide
CID 778488
N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-4-methylbenzenesulfonamide
CID 1028501
N-{4-[(2-aminoethyl)amino]-6-methyl-2-pyrimidinyl}-4-methylbenzenesulfonamide
CID 1951892
4-(2-(Butylamino)-6-(trifluoromethyl)pyrimidin-4-yl)benzenesulfonamide
CID 45270349
2-Benzyl-4-hydrazinyl-6-methylpyrimidine
CID 915141
N-[3-(3,5-Dimethyl-pyrazol-1-yl)-5-methyl-[1,2,4]triazol-4-yl]-4-methyl-benzenesulfonamide
CID 650503
N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 1068834
(E)-N-(((4,6-dimethylpyrimidin-2-yl)amino)(m-tolylamino)methylene)-4-methylbenzenesulfonamide
CID 5597811
N-(4,6-Dimethyl-2-pyrimidinyl)-4-methylbenzenesulfonamide
CID 670288
N-cyano-N-(4,6-dimethylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 701458

Frequently Asked Questions

What is the IUPAC name of N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 778494) is N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)cc(NN)n2)cc1.
What is the InChIKey of N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is DYHHNDZNQXGJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8-3-5-10(6-4-8)20(18,19)17-12-14-9(2)7-11(15-12)16-13/h3-7H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-(4-hydrazinyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.18, 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 778494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).