1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide

C8H11ClN2O2S — CID 63666756

IUPAC1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)CCl
InChIInChI=1S/C8H11ClN2O2S/c1-11(14(12,13)7-9)6-8-4-2-3-5-10-8/h2-5H,6-7H2,1H3
InChIKeyZAELODBKLHDXGJ-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.04
Rot. Bonds4

About 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide

1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 63666756) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID63666756
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)CCl
InChIInChI=1S/C8H11ClN2O2S/c1-11(14(12,13)7-9)6-8-4-2-3-5-10-8/h2-5H,6-7H2,1H3
InChIKeyZAELODBKLHDXGJ-UHFFFAOYSA-N
XLogP1.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 55208495
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 110724661
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-amino-2-bromo-5-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 62957761
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564889
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107090630
3-amino-4-fluoro-N,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 115421252
N-methyl-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62148236

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 63666756) is 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide is CN(Cc1ccccn1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is ZAELODBKLHDXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-11(14(12,13)7-9)6-8-4-2-3-5-10-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide?
1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 234.71 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63666756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).