4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

C18H14ClN3O2S — CID 1249629

IUPAC4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-15-5-3-4-14(12-15)13-21-16-7-9-17(10-8-16)25(23,24)22-18-6-1-2-11-20-18/h1-13H,(H,20,22)/b21-13+
InChIKeyWGULVCUTPHRQNR-FYJGNVAPSA-N
MW371.85 g/mol
LogP4.29
Rot. Bonds5

About 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 1249629) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID1249629
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-15-5-3-4-14(12-15)13-21-16-7-9-17(10-8-16)25(23,24)22-18-6-1-2-11-20-18/h1-13H,(H,20,22)/b21-13+
InChIKeyWGULVCUTPHRQNR-FYJGNVAPSA-N
XLogP4.29
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (CID 1249629) is 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is WGULVCUTPHRQNR-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-15-5-3-4-14(12-15)13-21-16-7-9-17(10-8-16)25(23,24)22-18-6-1-2-11-20-18/h1-13H,(H,20,22)/b21-13+.
What are the key properties of 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 371.85 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1249629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).