4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H16N2O3S — CID 741472

IUPAC4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C14H16N2O3S/c1-11-8-13(5-6-14(11)19-2)20(17,18)16-10-12-4-3-7-15-9-12/h3-9,16H,10H2,1-2H3
InChIKeyMGTIWRJVMBNZBO-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.88
Rot. Bonds5

About 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 741472) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID741472
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C14H16N2O3S/c1-11-8-13(5-6-14(11)19-2)20(17,18)16-10-12-4-3-7-15-9-12/h3-9,16H,10H2,1-2H3
InChIKeyMGTIWRJVMBNZBO-UHFFFAOYSA-N
XLogP1.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661328
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide
CID 6458014
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
CID 27195572
3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 170510592
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91816113
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 741472) is 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is MGTIWRJVMBNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-11-8-13(5-6-14(11)19-2)20(17,18)16-10-12-4-3-7-15-9-12/h3-9,16H,10H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 741472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).