N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide

C15H18N2O3S — CID 110360546

IUPACN-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(OC)c1
InChIInChI=1S/C15H18N2O3S/c1-3-21(18,19)17(12-13-6-5-9-16-11-13)14-7-4-8-15(10-14)20-2/h4-11H,3,12H2,1-2H3
InChIKeyZLFIGMMXYFFSFG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.45
Rot. Bonds6

About N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 110360546) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID110360546
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(OC)c1
InChIInChI=1S/C15H18N2O3S/c1-3-21(18,19)17(12-13-6-5-9-16-11-13)14-7-4-8-15(10-14)20-2/h4-11H,3,12H2,1-2H3
InChIKeyZLFIGMMXYFFSFG-UHFFFAOYSA-N
XLogP2.45
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 91055403
N-(3-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360575
N-[3-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521708
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581
N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10157712
N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521704
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388
N-[3-(dimethylamino)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 90872302
N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 110360546) is N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1cccnc1)c1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is ZLFIGMMXYFFSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-21(18,19)17(12-13-6-5-9-16-11-13)14-7-4-8-15(10-14)20-2/h4-11H,3,12H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 110360546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).