4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C16H20N2O3S — CID 110758398

IUPAC4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)Nc2ccnc(C)c2)c(C)c1C
InChIInChI=1S/C16H20N2O3S/c1-10-8-15(12(3)13(4)16(10)21-5)22(19,20)18-14-6-7-17-11(2)9-14/h6-9H,1-5H3,(H,17,18)
InChIKeyGOJIJSHDTFGBJO-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.12
Rot. Bonds4

About 4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide

4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 110758398) 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-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID110758398
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)Nc2ccnc(C)c2)c(C)c1C
InChIInChI=1S/C16H20N2O3S/c1-10-8-15(12(3)13(4)16(10)21-5)22(19,20)18-14-6-7-17-11(2)9-14/h6-9H,1-5H3,(H,17,18)
InChIKeyGOJIJSHDTFGBJO-UHFFFAOYSA-N
XLogP3.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758843
2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240316
5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071279
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
CID 79233091
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071250
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 110758398) is 4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide is COc1c(C)cc(S(=O)(=O)Nc2ccnc(C)c2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is GOJIJSHDTFGBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10-8-15(12(3)13(4)16(10)21-5)22(19,20)18-14-6-7-17-11(2)9-14/h6-9H,1-5H3,(H,17,18).
What are the key properties of 4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.12, 4 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-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110758398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).