2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C13H14N2O3S — CID 47104151

IUPAC2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C13H14N2O3S/c1-18-12-6-2-3-7-13(12)19(16,17)15-10-11-5-4-8-14-9-11/h2-9,15H,10H2,1H3
InChIKeyQRWDFWUKZZXVQJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.57
Rot. Bonds5

About 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 47104151) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID47104151
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C13H14N2O3S/c1-18-12-6-2-3-7-13(12)19(16,17)15-10-11-5-4-8-14-9-11/h2-9,15H,10H2,1H3
InChIKeyQRWDFWUKZZXVQJ-UHFFFAOYSA-N
XLogP1.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
4-methoxy-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2203728
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide
CID 90579141
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758584
2-methoxy-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 86854873

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 47104151) is 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is QRWDFWUKZZXVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-12-6-2-3-7-13(12)19(16,17)15-10-11-5-4-8-14-9-11/h2-9,15H,10H2,1H3.
What are the key properties of 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47104151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).