N'-propylsulfonylpyridine-4-carbohydrazide

C9H13N3O3S — CID 94072063

IUPACN'-propylsulfonylpyridine-4-carbohydrazide
SMILESCCCS(=O)(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C9H13N3O3S/c1-2-7-16(14,15)12-11-9(13)8-3-5-10-6-4-8/h3-6,12H,2,7H2,1H3,(H,11,13)
InChIKeyKRZOTJONFMFXBU-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.06
Rot. Bonds5

About N'-propylsulfonylpyridine-4-carbohydrazide

N'-propylsulfonylpyridine-4-carbohydrazide (PubChem CID 94072063) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N'-propylsulfonylpyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-propylsulfonylpyridine-4-carbohydrazide
PubChem CID94072063
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN'-propylsulfonylpyridine-4-carbohydrazide
SMILESCCCS(=O)(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C9H13N3O3S/c1-2-7-16(14,15)12-11-9(13)8-3-5-10-6-4-8/h3-6,12H,2,7H2,1H3,(H,11,13)
InChIKeyKRZOTJONFMFXBU-UHFFFAOYSA-N
XLogP0.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.06
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'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-undecylpyridine-4-carbohydrazide
CID 27387
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
N-butylpyridine-4-carboxamide
CID 5030535
1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112
1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414
N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
CID 27388
N-pentylpyridine-4-carboxamide
CID 2307296
N'-(4-methylcyclohexyl)pyridine-4-carbohydrazide
CID 27260
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide
CID 571551

Frequently Asked Questions

What is the IUPAC name of N'-propylsulfonylpyridine-4-carbohydrazide?
The IUPAC name of N'-propylsulfonylpyridine-4-carbohydrazide (CID 94072063) is N'-propylsulfonylpyridine-4-carbohydrazide.
What is the SMILES notation for N'-propylsulfonylpyridine-4-carbohydrazide?
The canonical SMILES for N'-propylsulfonylpyridine-4-carbohydrazide is CCCS(=O)(=O)NNC(=O)c1ccncc1.
What is the InChIKey of N'-propylsulfonylpyridine-4-carbohydrazide?
The InChIKey is KRZOTJONFMFXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-2-7-16(14,15)12-11-9(13)8-3-5-10-6-4-8/h3-6,12H,2,7H2,1H3,(H,11,13).
What are the key properties of N'-propylsulfonylpyridine-4-carbohydrazide?
N'-propylsulfonylpyridine-4-carbohydrazide has a molecular weight of 243.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylsulfonylpyridine-4-carbohydrazide is sourced from PubChem (CID 94072063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).