2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide

C14H13N3O6S — CID 1009772

IUPAC2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1O
InChIInChI=1S/C14H13N3O6S/c1-9-5-4-6-10(13(9)18)14(19)15-16-24(22,23)12-8-3-2-7-11(12)17(20)21/h2-8,16,18H,1H3,(H,15,19)
InChIKeyPUQWIDQHVHLEME-UHFFFAOYSA-N
MW351.34 g/mol
LogP1.23
Rot. Bonds5

About 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide

2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide (PubChem CID 1009772) has the molecular formula C14H13N3O6S and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide
PubChem CID1009772
Molecular FormulaC14H13N3O6S
Molecular Weight351.34 g/mol
Exact Mass351.05
IUPAC Name2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide
SMILESCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1O
InChIInChI=1S/C14H13N3O6S/c1-9-5-4-6-10(13(9)18)14(19)15-16-24(22,23)12-8-3-2-7-11(12)17(20)21/h2-8,16,18H,1H3,(H,15,19)
InChIKeyPUQWIDQHVHLEME-UHFFFAOYSA-N
XLogP1.23
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[bis(2-hydroxy-3-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 177410068
methyl 3-methyl-2-[(2-nitrophenyl)sulfonylamino]benzoate
CID 52700388
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide
CID 3374896
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
2-hydroxy-N,N,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]benzamide
CID 22095828
N-(3-methylpentan-3-yl)-2-nitrobenzenesulfonamide
CID 56805607
N-(3-methyl-2-oxobut-3-enyl)-2-nitrobenzenesulfonamide
CID 71423746
3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 26952120
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578045
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
CID 2766093
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The IUPAC name of 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide (CID 1009772) is 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide is Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
The InChIKey is PUQWIDQHVHLEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6S/c1-9-5-4-6-10(13(9)18)14(19)15-16-24(22,23)12-8-3-2-7-11(12)17(20)21/h2-8,16,18H,1H3,(H,15,19).
What are the key properties of 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide?
2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide has a molecular weight of 351.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 1009772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).