4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C16H20N2O3S — CID 970530

IUPAC4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCc2ccccn2)c(C)c1C
InChIInChI=1S/C16H20N2O3S/c1-11-9-15(12(2)13(3)16(11)21-4)22(19,20)18-10-14-7-5-6-8-17-14/h5-9,18H,10H2,1-4H3
InChIKeyRFAJYOLQCWFKFN-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.49
Rot. Bonds5

About 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 970530) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID970530
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCc2ccccn2)c(C)c1C
InChIInChI=1S/C16H20N2O3S/c1-11-9-15(12(2)13(3)16(11)21-4)22(19,20)18-10-14-7-5-6-8-17-14/h5-9,18H,10H2,1-4H3
InChIKeyRFAJYOLQCWFKFN-UHFFFAOYSA-N
XLogP2.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-2,3-dimethyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 850049
4-Methoxy-2,3-dimethyl-N-pyridin-3-yl-benzenesulfonamide
CID 1088781
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
4-Ethoxy-2,3,5-trimethyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 1094925
4-Ethoxy-3-isopropyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1094929
4-ethoxy-2,3,5-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 1094930
4-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 777201
4-methoxy-N-(6-methoxypyridin-3-yl)naphthalene-1-sulfonamide
CID 1263144
5-isopropyl-2-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 850040
2-ethoxy-5-isopropyl-4-methyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 850055
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3236374

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 970530) is 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCc2ccccn2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is RFAJYOLQCWFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-9-15(12(2)13(3)16(11)21-4)22(19,20)18-10-14-7-5-6-8-17-14/h5-9,18H,10H2,1-4H3.
What are the key properties of 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 970530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).