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

C18H14ClN3O2S — CID 1041593

IUPAC4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-17-6-2-1-5-14(17)13-21-15-8-10-16(11-9-15)25(23,24)22-18-7-3-4-12-20-18/h1-13H,(H,20,22)/b21-13+
InChIKeyKLGBKTCWCOVZMV-FYJGNVAPSA-N
MW371.85 g/mol
LogP4.29
Rot. Bonds5

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

4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 1041593) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID1041593
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-17-6-2-1-5-14(17)13-21-15-8-10-16(11-9-15)25(23,24)22-18-7-3-4-12-20-18/h1-13H,(H,20,22)/b21-13+
InChIKeyKLGBKTCWCOVZMV-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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Related Compounds

Sulfapyridine
CID 5336
Bisanilinopyrimidine, 9i
CID 70702156
N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
Sulfapyridine Sodium
CID 23667654
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
N-(Pyridin-2-yl) arylsulfonamide, 11
CID 44143306
Arylsulfonylpiperazine, 25
CID 44237028
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (CID 1041593) is 4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is KLGBKTCWCOVZMV-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-17-6-2-1-5-14(17)13-21-15-8-10-16(11-9-15)25(23,24)22-18-7-3-4-12-20-18/h1-13H,(H,20,22)/b21-13+.
What are the key properties of 4-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(2-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-[(2-chlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1041593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).