2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide

C17H22N2O3S — CID 6464127

IUPAC2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ncccc1C
InChIInChI=1S/C17H22N2O3S/c1-11(2)14-10-16(15(22-5)9-13(14)4)23(20,21)19-17-12(3)7-6-8-18-17/h6-11H,1-5H3,(H,18,19)
InChIKeyYOBQJEJERBPNJT-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.63
Rot. Bonds5

About 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide

2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 6464127) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide
PubChem CID6464127
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ncccc1C
InChIInChI=1S/C17H22N2O3S/c1-11(2)14-10-16(15(22-5)9-13(14)4)23(20,21)19-17-12(3)7-6-8-18-17/h6-11H,1-5H3,(H,18,19)
InChIKeyYOBQJEJERBPNJT-UHFFFAOYSA-N
XLogP3.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
6-[2-(4-Methoxyphenyl)ethylamino]pyridine-3-sulfonamide
CID 9405815
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
4-ethoxy-N-(3-methylpyridin-2-yl)naphthalene-1-sulfonamide
CID 1073731
3-(6-Methoxy-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 44525560
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
3-(6-Methoxy-3-pyridyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53312322
4-Methoxy-biphenyl-3-sulfonic acid pyridin-3-ylamide
CID 56684231
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-cyclopropyl-benzenesulfonamide
CID 67325548

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide (CID 6464127) is 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ncccc1C.
What is the InChIKey of 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is YOBQJEJERBPNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11(2)14-10-16(15(22-5)9-13(14)4)23(20,21)19-17-12(3)7-6-8-18-17/h6-11H,1-5H3,(H,18,19).
What are the key properties of 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide?
2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(3-methyl-2-pyridinyl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 6464127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).