1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane

C15H23NO3S — CID 6471798

IUPAC1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane
SMILESCOc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1C
InChIInChI=1S/C15H23NO3S/c1-12-10-13(2)15(11-14(12)19-3)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyYOBMVGLMUPIRGM-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.88
Rot. Bonds3

About 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane

1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane (PubChem CID 6471798) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane.

Molecular Properties

Compound Name1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane
PubChem CID6471798
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane
SMILESCOc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1C
InChIInChI=1S/C15H23NO3S/c1-12-10-13(2)15(11-14(12)19-3)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyYOBMVGLMUPIRGM-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-(2-Methoxy-4-methylphenyl)sulfonylazepane
CID 567073
1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
1-(2-Methoxy-5-methylphenyl)sulfonylazepane
CID 775522
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
1-(5-Ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
CID 970153
1-(4,5-Dimethoxy-2-methylphenyl)sulfonylazepane
CID 35287871
(3R,4R)-1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-3,4-dimethylpyrrolidin-3-ol
CID 72885199
1-({4'-Methoxy-[1,1'-biphenyl]-4-yl}sulfonyl)azepane
CID 852207

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane?
The IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane (CID 6471798) is 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane.
What is the SMILES notation for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane?
The canonical SMILES for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane is COc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1C.
What is the InChIKey of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane?
The InChIKey is YOBMVGLMUPIRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-10-13(2)15(11-14(12)19-3)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane?
1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane has a molecular weight of 297.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylazepane is sourced from PubChem (CID 6471798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).