(NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide

C12H9ClN2O2S — CID 11687772

IUPAC(NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide
SMILESO=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C12H9ClN2O2S/c13-11-6-4-10(5-7-11)9-15-18(16,17)12-3-1-2-8-14-12/h1-9H/b15-9+
InChIKeyVOFMPXCQAYSMDT-OQLLNIDSSA-N
MW280.74 g/mol
LogP2.54
Rot. Bonds3

About (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide

(NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide (PubChem CID 11687772) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide
PubChem CID11687772
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC Name(NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide
SMILESO=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C12H9ClN2O2S/c13-11-6-4-10(5-7-11)9-15-18(16,17)12-3-1-2-8-14-12/h1-9H/b15-9+
InChIKeyVOFMPXCQAYSMDT-OQLLNIDSSA-N
XLogP2.54
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide
CID 131868699
(NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide
CID 134997047
(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
CID 58360990
N-[(4-chlorophenyl)methylidene]-4-nitrobenzenesulfonamide
CID 73088667
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
2-(chloromethylsulfonyl)pyridine
CID 54090294
1-(4-chlorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)cyclobutane-1-carboxamide
CID 135074226
CID 10012124
CID 10012124
2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
CID 162664955
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
CID 175476137
CID 175476137

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide?
The IUPAC name of (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide (CID 11687772) is (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide.
What is the SMILES notation for (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide?
The canonical SMILES for (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide is O=S(=O)(/N=C/c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide?
The InChIKey is VOFMPXCQAYSMDT-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-11-6-4-10(5-7-11)9-15-18(16,17)12-3-1-2-8-14-12/h1-9H/b15-9+.
What are the key properties of (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide?
(NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide has a molecular weight of 280.74 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-chlorophenyl)methylidene]pyridine-2-sulfonamide is sourced from PubChem (CID 11687772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).