1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide

C7H9ClN2O2S — CID 106936805

IUPAC1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)CCl
InChIInChI=1S/C7H9ClN2O2S/c1-10(13(11,12)6-8)7-2-4-9-5-3-7/h2-5H,6H2,1H3
InChIKeyMGWRMXOIAGVFMA-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.04
Rot. Bonds3

About 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide

1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide (PubChem CID 106936805) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide
PubChem CID106936805
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)CCl
InChIInChI=1S/C7H9ClN2O2S/c1-10(13(11,12)6-8)7-2-4-9-5-3-7/h2-5H,6H2,1H3
InChIKeyMGWRMXOIAGVFMA-UHFFFAOYSA-N
XLogP1.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide?
The IUPAC name of 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide (CID 106936805) is 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide is CN(c1ccncc1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide?
The InChIKey is MGWRMXOIAGVFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-10(13(11,12)6-8)7-2-4-9-5-3-7/h2-5H,6H2,1H3.
What are the key properties of 1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide?
1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide has a molecular weight of 220.68 g/mol, XLogP of 1.04, 3 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-4-ylmethanesulfonamide is sourced from PubChem (CID 106936805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).