1-(4-methoxynaphthalen-1-yl)sulfonylazepane

C17H21NO3S — CID 846974

IUPAC1-(4-methoxynaphthalen-1-yl)sulfonylazepane
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12
InChIInChI=1S/C17H21NO3S/c1-21-16-10-11-17(15-9-5-4-8-14(15)16)22(19,20)18-12-6-2-3-7-13-18/h4-5,8-11H,2-3,6-7,12-13H2,1H3
InChIKeyPDKNEGZLXKSZPH-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-methoxynaphthalen-1-yl)sulfonylazepane

1-(4-methoxynaphthalen-1-yl)sulfonylazepane (PubChem CID 846974) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)sulfonylazepane.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)sulfonylazepane
PubChem CID846974
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name1-(4-methoxynaphthalen-1-yl)sulfonylazepane
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12
InChIInChI=1S/C17H21NO3S/c1-21-16-10-11-17(15-9-5-4-8-14(15)16)22(19,20)18-12-6-2-3-7-13-18/h4-5,8-11H,2-3,6-7,12-13H2,1H3
InChIKeyPDKNEGZLXKSZPH-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethoxynaphthalen-1-yl)sulfonylazepane
CID 776924
4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide
CID 3148555
1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
1-(6-Methoxy-naphthalene-2-sulfonyl)-pyrrolidine
CID 1085520
1-(4-Methoxynaphthalen-1-yl)sulfonylpyrrolidine
CID 6471744
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
(E)-1-(4-methoxyphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193144
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 1274107
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
N-[(4-methoxy-1-naphthyl)sulfonyl]-N-methylglycine
CID 729581

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)sulfonylazepane?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)sulfonylazepane (CID 846974) is 1-(4-methoxynaphthalen-1-yl)sulfonylazepane.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)sulfonylazepane?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)sulfonylazepane is COc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)sulfonylazepane?
The InChIKey is PDKNEGZLXKSZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-21-16-10-11-17(15-9-5-4-8-14(15)16)22(19,20)18-12-6-2-3-7-13-18/h4-5,8-11H,2-3,6-7,12-13H2,1H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)sulfonylazepane?
1-(4-methoxynaphthalen-1-yl)sulfonylazepane has a molecular weight of 319.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)sulfonylazepane is sourced from PubChem (CID 846974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).