N-methoxy-2-pyridin-4-ylethanesulfonamide

C8H12N2O3S — CID 64973891

IUPACN-methoxy-2-pyridin-4-ylethanesulfonamide
SMILESCONS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C8H12N2O3S/c1-13-10-14(11,12)7-4-8-2-5-9-6-3-8/h2-3,5-6,10H,4,7H2,1H3
InChIKeyOMEZRRUAEWAVCK-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.10
Rot. Bonds5

About N-methoxy-2-pyridin-4-ylethanesulfonamide

N-methoxy-2-pyridin-4-ylethanesulfonamide (PubChem CID 64973891) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is N-methoxy-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-methoxy-2-pyridin-4-ylethanesulfonamide
PubChem CID64973891
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC NameN-methoxy-2-pyridin-4-ylethanesulfonamide
SMILESCONS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C8H12N2O3S/c1-13-10-14(11,12)7-4-8-2-5-9-6-3-8/h2-3,5-6,10H,4,7H2,1H3
InChIKeyOMEZRRUAEWAVCK-UHFFFAOYSA-N
XLogP0.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 113376640
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
methyl 3-(2-pyridin-4-ylethylsulfonyl)butanoate
CID 66115772
N-(4-chloro-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089715
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide
CID 83095311
4-methoxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 62479861
N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 61133210

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-methoxy-2-pyridin-4-ylethanesulfonamide (CID 64973891) is N-methoxy-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-methoxy-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-methoxy-2-pyridin-4-ylethanesulfonamide is CONS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-methoxy-2-pyridin-4-ylethanesulfonamide?
The InChIKey is OMEZRRUAEWAVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-13-10-14(11,12)7-4-8-2-5-9-6-3-8/h2-3,5-6,10H,4,7H2,1H3.
What are the key properties of N-methoxy-2-pyridin-4-ylethanesulfonamide?
N-methoxy-2-pyridin-4-ylethanesulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 64973891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).