4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide

C17H22N2O3S — CID 16644972

IUPAC4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C17H22N2O3S/c1-5-9-22-15-10-12(2)13(3)11-16(15)23(20,21)19-17-8-6-7-14(4)18-17/h6-8,10-11H,5,9H2,1-4H3,(H,18,19)
InChIKeyMIUOIOBPZULMSS-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.60
Rot. Bonds6

About 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide

4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide (PubChem CID 16644972) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
PubChem CID16644972
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C17H22N2O3S/c1-5-9-22-15-10-12(2)13(3)11-16(15)23(20,21)19-17-8-6-7-14(4)18-17/h6-8,10-11H,5,9H2,1-4H3,(H,18,19)
InChIKeyMIUOIOBPZULMSS-UHFFFAOYSA-N
XLogP3.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 6463553
2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 2991807
2,5-dichloro-4-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 6463724
2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 16644970
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
2,4-dimethyl-5-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 15943748
1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole
CID 15943816
4-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 47071432
4-methyl-N-(4-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 47001879
N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352
1-(4,5-dimethyl-2-propoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 35202176
2-(methylamino)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 55044313

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide?
The IUPAC name of 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide (CID 16644972) is 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide?
The canonical SMILES for 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide is CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(C)n1.
What is the InChIKey of 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide?
The InChIKey is MIUOIOBPZULMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-9-22-15-10-12(2)13(3)11-16(15)23(20,21)19-17-8-6-7-14(4)18-17/h6-8,10-11H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide?
4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide is sourced from PubChem (CID 16644972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).