N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide

C12H9ClN2O2S — CID 131868699

IUPACN-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide
SMILESO=S(=O)(N=Cc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C12H9ClN2O2S/c13-11-5-3-4-10(8-11)9-15-18(16,17)12-6-1-2-7-14-12/h1-9H
InChIKeyXABUPTIQQBUIAM-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.54
Rot. Bonds3

About N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide

N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide (PubChem CID 131868699) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide
PubChem CID131868699
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC NameN-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide
SMILESO=S(=O)(N=Cc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C12H9ClN2O2S/c13-11-5-3-4-10(8-11)9-15-18(16,17)12-6-1-2-7-14-12/h1-9H
InChIKeyXABUPTIQQBUIAM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide (CID 131868699) is N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide is O=S(=O)(N=Cc1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide?
The InChIKey is XABUPTIQQBUIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-11-5-3-4-10(8-11)9-15-18(16,17)12-6-1-2-7-14-12/h1-9H.
What are the key properties of N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide?
N-[(3-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 N-[(3-chlorophenyl)methylidene]pyridine-2-sulfonamide is sourced from PubChem (CID 131868699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).