N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide

C12H14N4O2S — CID 164801074

IUPACN-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide
SMILESCc1cc(N(N)S(=O)(=O)c2ccccc2)nc(C)n1
InChIInChI=1S/C12H14N4O2S/c1-9-8-12(15-10(2)14-9)16(13)19(17,18)11-6-4-3-5-7-11/h3-8H,13H2,1-2H3
InChIKeyCRQDHHKUSLZHTJ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.16
Rot. Bonds3

About N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide

N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide (PubChem CID 164801074) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide
PubChem CID164801074
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide
SMILESCc1cc(N(N)S(=O)(=O)c2ccccc2)nc(C)n1
InChIInChI=1S/C12H14N4O2S/c1-9-8-12(15-10(2)14-9)16(13)19(17,18)11-6-4-3-5-7-11/h3-8H,13H2,1-2H3
InChIKeyCRQDHHKUSLZHTJ-UHFFFAOYSA-N
XLogP1.16
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2,6-dimethylpyrimidin-4-yl)-N,3-dimethylbenzenesulfonamide
CID 54318786
N-(3,4-dimethylphenyl)benzenesulfonohydrazide
CID 156650628
N-pyrimidin-2-ylbenzenesulfonohydrazide
CID 67916952
1-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-3-phenylthiourea
CID 852667
N-(1,3,4-thiadiazol-2-yl)benzenesulfonohydrazide
CID 68654141
4-methyl-N-(2-methylphenyl)benzenesulfonohydrazide
CID 175041346
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 56698937
N,N-dipropylbenzenesulfonamide
CID 4053954
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide
CID 175535624
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide?
The IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide (CID 164801074) is N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide.
What is the SMILES notation for N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide?
The canonical SMILES for N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide is Cc1cc(N(N)S(=O)(=O)c2ccccc2)nc(C)n1.
What is the InChIKey of N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide?
The InChIKey is CRQDHHKUSLZHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9-8-12(15-10(2)14-9)16(13)19(17,18)11-6-4-3-5-7-11/h3-8H,13H2,1-2H3.
What are the key properties of N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide?
N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide has a molecular weight of 278.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonohydrazide is sourced from PubChem (CID 164801074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).