N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide

C13H13N3O3S — CID 26951444

IUPACN'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S/c1-10-5-7-11(8-6-10)20(18,19)16-15-13(17)12-4-2-3-9-14-12/h2-9,16H,1H3,(H,15,17)
InChIKeyWJXMXQCJONIBKW-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.01
Rot. Bonds4

About N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide

N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide (PubChem CID 26951444) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
PubChem CID26951444
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S/c1-10-5-7-11(8-6-10)20(18,19)16-15-13(17)12-4-2-3-9-14-12/h2-9,16H,1H3,(H,15,17)
InChIKeyWJXMXQCJONIBKW-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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Related Compounds

N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide
CID 25185414
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 71260417
4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
CID 11154648
N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 8511867
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4790073
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
CID 16615764

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide (CID 26951444) is N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide?
The InChIKey is WJXMXQCJONIBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-10-5-7-11(8-6-10)20(18,19)16-15-13(17)12-4-2-3-9-14-12/h2-9,16H,1H3,(H,15,17).
What are the key properties of N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide?
N'-(4-methylphenyl)sulfonylpyridine-2-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-2-carbohydrazide is sourced from PubChem (CID 26951444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).