4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide

C16H20N2O3S — CID 47001879

IUPAC4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C16H20N2O3S/c1-4-9-21-14-10-12(2)5-6-15(14)22(19,20)18-16-11-13(3)7-8-17-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)
InChIKeyYJGMUJRVFXJOTK-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.29
Rot. Bonds6

About 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide

4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide (PubChem CID 47001879) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
PubChem CID47001879
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C16H20N2O3S/c1-4-9-21-14-10-12(2)5-6-15(14)22(19,20)18-16-11-13(3)7-8-17-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,18)
InChIKeyYJGMUJRVFXJOTK-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

N-[4-[(4-methyl-2-propoxyphenyl)sulfonylamino]phenyl]acetamide
CID 172906766
N-(3,5-dimethylphenyl)-4-methyl-2-pentoxybenzenesulfonamide
CID 16645088
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 2991807
2,4-dimethyl-5-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 15943748
4-methyl-N-(2-methylphenyl)-2-pentoxybenzenesulfonamide
CID 16645091
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 28514319
N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
CID 61063068
N-(4-methyl-2-pyridinyl)butane-1-sulfonamide
CID 19683113
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 16644972
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide (CID 47001879) is 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide is CCCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)ccn1.
What is the InChIKey of 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide?
The InChIKey is YJGMUJRVFXJOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-9-21-14-10-12(2)5-6-15(14)22(19,20)18-16-11-13(3)7-8-17-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide?
4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide 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 4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide is sourced from PubChem (CID 47001879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).