4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C16H20N2O3S — CID 110756905

IUPAC4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccnc(C)c2)cc1C
InChIInChI=1S/C16H20N2O3S/c1-5-21-15-8-12(3)16(9-11(15)2)22(19,20)18-14-6-7-17-13(4)10-14/h6-10H,5H2,1-4H3,(H,17,18)
InChIKeyXKDWYRHVEUKHNW-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.21
Rot. Bonds5

About 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 110756905) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID110756905
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccnc(C)c2)cc1C
InChIInChI=1S/C16H20N2O3S/c1-5-21-15-8-12(3)16(9-11(15)2)22(19,20)18-14-6-7-17-13(4)10-14/h6-10H,5H2,1-4H3,(H,17,18)
InChIKeyXKDWYRHVEUKHNW-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110728969
5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071279
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 110350561
4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758398
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643747
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
CID 110731910

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 110756905) is 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ccnc(C)c2)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is XKDWYRHVEUKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-5-21-15-8-12(3)16(9-11(15)2)22(19,20)18-14-6-7-17-13(4)10-14/h6-10H,5H2,1-4H3,(H,17,18).
What are the key properties of 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110756905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).