2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide

C12H11ClN2O2S — CID 114264309

IUPAC2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccccc1CCl
InChIInChI=1S/C12H11ClN2O2S/c13-8-10-4-1-2-6-12(10)18(16,17)15-11-5-3-7-14-9-11/h1-7,9,15H,8H2
InChIKeyUMABRSUHBWZLGO-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.62
Rot. Bonds4

About 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide

2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 114264309) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID114264309
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccccc1CCl
InChIInChI=1S/C12H11ClN2O2S/c13-8-10-4-1-2-6-12(10)18(16,17)15-11-5-3-7-14-9-11/h1-7,9,15H,8H2
InChIKeyUMABRSUHBWZLGO-UHFFFAOYSA-N
XLogP2.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596301
2,6-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 890470
4-[5-(chloromethyl)-6-oxo-1H-pyridin-2-yl]-N-pyridin-3-ylbenzenesulfonamide
CID 22750321
3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 106033836
5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033207
2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide
CID 122152668
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
2-(4-ethyl-4-methyl-1H-azet-2-yl)-N-pyridin-3-ylbenzenesulfonamide
CID 71206572
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide (CID 114264309) is 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnc1)c1ccccc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is UMABRSUHBWZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-8-10-4-1-2-6-12(10)18(16,17)15-11-5-3-7-14-9-11/h1-7,9,15H,8H2.
What are the key properties of 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide?
2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 114264309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).