2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide

C15H12ClN5O2S — CID 2824448

IUPAC2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1nccc(-c2cccnc2)n1)c1ccccc1Cl
InChIInChI=1S/C15H12ClN5O2S/c16-12-5-1-2-6-14(12)24(22,23)21-20-15-18-9-7-13(19-15)11-4-3-8-17-10-11/h1-10,21H,(H,18,19,20)
InChIKeyUJENXKBRAZCWGA-UHFFFAOYSA-N
MW361.81 g/mol
LogP2.50
Rot. Bonds5

About 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide

2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide (PubChem CID 2824448) has the molecular formula C15H12ClN5O2S and a molecular weight of 361.81 g/mol. Its IUPAC name is 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide
PubChem CID2824448
Molecular FormulaC15H12ClN5O2S
Molecular Weight361.81 g/mol
Exact Mass361.04
IUPAC Name2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1nccc(-c2cccnc2)n1)c1ccccc1Cl
InChIInChI=1S/C15H12ClN5O2S/c16-12-5-1-2-6-14(12)24(22,23)21-20-15-18-9-7-13(19-15)11-4-3-8-17-10-11/h1-10,21H,(H,18,19,20)
InChIKeyUJENXKBRAZCWGA-UHFFFAOYSA-N
XLogP2.50
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide?
The IUPAC name of 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide (CID 2824448) is 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide.
What is the SMILES notation for 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide?
The canonical SMILES for 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide is O=S(=O)(NNc1nccc(-c2cccnc2)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide?
The InChIKey is UJENXKBRAZCWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2S/c16-12-5-1-2-6-14(12)24(22,23)21-20-15-18-9-7-13(19-15)11-4-3-8-17-10-11/h1-10,21H,(H,18,19,20).
What are the key properties of 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide?
2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide has a molecular weight of 361.81 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-pyridin-3-ylpyrimidin-2-yl)benzenesulfonohydrazide is sourced from PubChem (CID 2824448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).