N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide

C12H15N5O2S — CID 61328716

IUPACN-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C12H15N5O2S/c1-8-4-3-5-9(2)11(8)17-20(18,19)10-6-14-12(16-13)15-7-10/h3-7,17H,13H2,1-2H3,(H,14,15,16)
InChIKeyDKWAEQXNUBRNEQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.18
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide

N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 61328716) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID61328716
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C12H15N5O2S/c1-8-4-3-5-9(2)11(8)17-20(18,19)10-6-14-12(16-13)15-7-10/h3-7,17H,13H2,1-2H3,(H,14,15,16)
InChIKeyDKWAEQXNUBRNEQ-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

2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 61329110
N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329492
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
N-(2,3-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329103
2-hydrazinyl-N-(2-methyl-4-pyridinyl)pyrimidine-5-sulfonamide
CID 79241040
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553
N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385
N-(2,6-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144941
2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 113397796
N-(2,4-dibromophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61477635
2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide
CID 61328714

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide (CID 61328716) is N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is DKWAEQXNUBRNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8-4-3-5-9(2)11(8)17-20(18,19)10-6-14-12(16-13)15-7-10/h3-7,17H,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide?
N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide 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-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 61328716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).