N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide

C13H13N3O3S — CID 22685

IUPACN'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2cccnc2)cc1
InChIInChI=1S/C13H13N3O3S/c1-10-4-6-12(7-5-10)20(18,19)16-15-13(17)11-3-2-8-14-9-11/h2-9,16H,1H3,(H,15,17)
InChIKeyQBSUOPKQEBOXDF-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.01
Rot. Bonds4

About N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide

N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide (PubChem CID 22685) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide
PubChem CID22685
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2cccnc2)cc1
InChIInChI=1S/C13H13N3O3S/c1-10-4-6-12(7-5-10)20(18,19)16-15-13(17)11-3-2-8-14-9-11/h2-9,16H,1H3,(H,15,17)
InChIKeyQBSUOPKQEBOXDF-UHFFFAOYSA-N
XLogP1.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide (CID 22685) is N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2cccnc2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide?
The InChIKey is QBSUOPKQEBOXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-10-4-6-12(7-5-10)20(18,19)16-15-13(17)11-3-2-8-14-9-11/h2-9,16H,1H3,(H,15,17).
What are the key properties of N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide?
N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide has a molecular weight of 291.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonylpyridine-3-carbohydrazide is sourced from PubChem (CID 22685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).