N-methyl-N-pyridin-4-ylmethanesulfonamide

C7H10N2O2S — CID 23422276

IUPACN-methyl-N-pyridin-4-ylmethanesulfonamide
SMILESCN(c1ccncc1)S(C)(=O)=O
InChIInChI=1S/C7H10N2O2S/c1-9(12(2,10)11)7-3-5-8-6-4-7/h3-6H,1-2H3
InChIKeySHIUYLMAPXAMMA-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.48
Rot. Bonds2

About N-methyl-N-pyridin-4-ylmethanesulfonamide

N-methyl-N-pyridin-4-ylmethanesulfonamide (PubChem CID 23422276) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-ylmethanesulfonamide
PubChem CID23422276
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC NameN-methyl-N-pyridin-4-ylmethanesulfonamide
SMILESCN(c1ccncc1)S(C)(=O)=O
InChIInChI=1S/C7H10N2O2S/c1-9(12(2,10)11)7-3-5-8-6-4-7/h3-6H,1-2H3
InChIKeySHIUYLMAPXAMMA-UHFFFAOYSA-N
XLogP0.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-4-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-pyridin-4-ylmethanesulfonamide (CID 23422276) is N-methyl-N-pyridin-4-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-pyridin-4-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-pyridin-4-ylmethanesulfonamide is CN(c1ccncc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-pyridin-4-ylmethanesulfonamide?
The InChIKey is SHIUYLMAPXAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-9(12(2,10)11)7-3-5-8-6-4-7/h3-6H,1-2H3.
What are the key properties of N-methyl-N-pyridin-4-ylmethanesulfonamide?
N-methyl-N-pyridin-4-ylmethanesulfonamide has a molecular weight of 186.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-ylmethanesulfonamide is sourced from PubChem (CID 23422276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).