N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide

C16H15N7O6S2 — CID 101253878

IUPACN'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
SMILESO=[N+]([O-])c1c(NNS(=O)(=O)c2ccccc2)ncnc1NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15N7O6S2/c24-23(25)14-15(19-21-30(26,27)12-7-3-1-4-8-12)17-11-18-16(14)20-22-31(28,29)13-9-5-2-6-10-13/h1-11,21-22H,(H2,17,18,19,20)
InChIKeyQBZZUPCJWALGBV-UHFFFAOYSA-N
MW465.47 g/mol
LogP1.00
Rot. Bonds9

About N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide

N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide (PubChem CID 101253878) has the molecular formula C16H15N7O6S2 and a molecular weight of 465.47 g/mol. Its IUPAC name is N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
PubChem CID101253878
Molecular FormulaC16H15N7O6S2
Molecular Weight465.47 g/mol
Exact Mass465.05
IUPAC NameN'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
SMILESO=[N+]([O-])c1c(NNS(=O)(=O)c2ccccc2)ncnc1NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15N7O6S2/c24-23(25)14-15(19-21-30(26,27)12-7-3-1-4-8-12)17-11-18-16(14)20-22-31(28,29)13-9-5-2-6-10-13/h1-11,21-22H,(H2,17,18,19,20)
InChIKeyQBZZUPCJWALGBV-UHFFFAOYSA-N
XLogP1.00
TPSA185.32 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-anilino-5-nitropyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
CID 22531829
4-methyl-N'-[6-(N-methylanilino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22526994
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22532306
4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536920
N'-[6-(4-iodoanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22533205
N'-[6-(3,4-dimethylanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 23484915
1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
CID 22526624
4-methyl-N'-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]benzenesulfonohydrazide
CID 22526100
5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 23489047
4-N-(4-methylphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 22531784
4-methyl-N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536934
1-methyl-2-[6-(2-methylhydrazinyl)-5-nitropyrimidin-4-yl]hydrazine
CID 101253876

Frequently Asked Questions

What is the IUPAC name of N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide?
The IUPAC name of N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide (CID 101253878) is N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide?
The canonical SMILES for N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide is O=[N+]([O-])c1c(NNS(=O)(=O)c2ccccc2)ncnc1NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide?
The InChIKey is QBZZUPCJWALGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O6S2/c24-23(25)14-15(19-21-30(26,27)12-7-3-1-4-8-12)17-11-18-16(14)20-22-31(28,29)13-9-5-2-6-10-13/h1-11,21-22H,(H2,17,18,19,20).
What are the key properties of N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide?
N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide has a molecular weight of 465.47 g/mol, XLogP of 1.00, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide is sourced from PubChem (CID 101253878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).