N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide

C18H15N3O3S — CID 135298661

IUPACN'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C18H15N3O3S/c22-18(20-21-25(23,24)16-9-5-2-6-10-16)15-11-12-19-17(13-15)14-7-3-1-4-8-14/h1-13,21H,(H,20,22)
InChIKeyVYXRRWHTTNKTPJ-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.37
Rot. Bonds5

About N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide

N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide (PubChem CID 135298661) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide
PubChem CID135298661
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C18H15N3O3S/c22-18(20-21-25(23,24)16-9-5-2-6-10-16)15-11-12-19-17(13-15)14-7-3-1-4-8-14/h1-13,21H,(H,20,22)
InChIKeyVYXRRWHTTNKTPJ-UHFFFAOYSA-N
XLogP2.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.37
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'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide (CID 135298661) is N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide?
The InChIKey is VYXRRWHTTNKTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-18(20-21-25(23,24)16-9-5-2-6-10-16)15-11-12-19-17(13-15)14-7-3-1-4-8-14/h1-13,21H,(H,20,22).
What are the key properties of N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide?
N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide has a molecular weight of 353.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-phenylpyridine-4-carbohydrazide is sourced from PubChem (CID 135298661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).