2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide

C16H20N2O3S — CID 2991807

IUPAC2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCCCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C
InChIInChI=1S/C16H20N2O3S/c1-4-9-21-14-10-13(3)15(11-12(14)2)22(19,20)18-16-7-5-6-8-17-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)
InChIKeyBDZMRVWTPPWJTM-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.29
Rot. Bonds6

About 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide

2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 2991807) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
PubChem CID2991807
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCCCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C
InChIInChI=1S/C16H20N2O3S/c1-4-9-21-14-10-13(3)15(11-12(14)2)22(19,20)18-16-7-5-6-8-17-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)
InChIKeyBDZMRVWTPPWJTM-UHFFFAOYSA-N
XLogP3.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 15943748
4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986731
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 16644972
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
2,3,4,5-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644704
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
2-[4-chloro-2-methyl-5-(pyridin-2-ylsulfamoyl)phenoxy]acetamide
CID 992277
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 47001879
2,5-dimethyl-4-propoxybenzenesulfonyl chloride
CID 43134395

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide (CID 2991807) is 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide is CCCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C.
What is the InChIKey of 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is BDZMRVWTPPWJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-9-21-14-10-13(3)15(11-12(14)2)22(19,20)18-16-7-5-6-8-17-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide?
2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 2991807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).