4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C16H20N2O3S — CID 6473677

IUPAC4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1C
InChIInChI=1S/C16H20N2O3S/c1-5-21-14-9-13(4)15(10-12(14)3)22(19,20)18-16-11(2)7-6-8-17-16/h6-10H,5H2,1-4H3,(H,17,18)
InChIKeyXNBKECBYOCLCOW-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.21
Rot. Bonds5

About 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 6473677) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID6473677
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1C
InChIInChI=1S/C16H20N2O3S/c1-5-21-14-9-13(4)15(10-12(14)3)22(19,20)18-16-11(2)7-6-8-17-16/h6-10H,5H2,1-4H3,(H,17,18)
InChIKeyXNBKECBYOCLCOW-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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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 6473677) is 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is XNBKECBYOCLCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-5-21-14-9-13(4)15(10-12(14)3)22(19,20)18-16-11(2)7-6-8-17-16/h6-10H,5H2,1-4H3,(H,17,18).
What are the key properties of 4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-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-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 6473677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).