4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide

C11H11N5O5S — CID 135709638

IUPAC4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2nc[nH]c(=O)c2[N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O5S/c1-7-2-4-8(5-3-7)22(20,21)15-14-10-9(16(18)19)11(17)13-6-12-10/h2-6,15H,1H3,(H2,12,13,14,17)
InChIKeyQXXGMWXJPCBDDJ-UHFFFAOYSA-N
MW325.31 g/mol
LogP0.29
Rot. Bonds5

About 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide

4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide (PubChem CID 135709638) has the molecular formula C11H11N5O5S and a molecular weight of 325.31 g/mol. Its IUPAC name is 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide
PubChem CID135709638
Molecular FormulaC11H11N5O5S
Molecular Weight325.31 g/mol
Exact Mass325.05
IUPAC Name4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2nc[nH]c(=O)c2[N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O5S/c1-7-2-4-8(5-3-7)22(20,21)15-14-10-9(16(18)19)11(17)13-6-12-10/h2-6,15H,1H3,(H2,12,13,14,17)
InChIKeyQXXGMWXJPCBDDJ-UHFFFAOYSA-N
XLogP0.29
TPSA147.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(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
4-methyl-N'-[6-(N-methylanilino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22526994
N'-[6-[2-(benzenesulfonyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 101253878
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22532306
N'-[6-[bis(2-cyanoethyl)amino]-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 23493538
4-methyl-N'-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]benzenesulfonohydrazide
CID 22526100
4-methyl-N'-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536936
4-methyl-N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536934
N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 23492683

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide?
The IUPAC name of 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide (CID 135709638) is 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide?
The canonical SMILES for 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2nc[nH]c(=O)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide?
The InChIKey is QXXGMWXJPCBDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O5S/c1-7-2-4-8(5-3-7)22(20,21)15-14-10-9(16(18)19)11(17)13-6-12-10/h2-6,15H,1H3,(H2,12,13,14,17).
What are the key properties of 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide?
4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide has a molecular weight of 325.31 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide is sourced from PubChem (CID 135709638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).