1-[3-(phenoxymethyl)phenyl]sulfonylazepane

C19H23NO3S — CID 71691343

IUPAC1-[3-(phenoxymethyl)phenyl]sulfonylazepane
SMILESO=S(=O)(c1cccc(COc2ccccc2)c1)N1CCCCCC1
InChIInChI=1S/C19H23NO3S/c21-24(22,20-13-6-1-2-7-14-20)19-12-8-9-17(15-19)16-23-18-10-4-3-5-11-18/h3-5,8-12,15H,1-2,6-7,13-14,16H2
InChIKeyZCVBFCZZLHYCTH-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-(phenoxymethyl)phenyl]sulfonylazepane

1-[3-(phenoxymethyl)phenyl]sulfonylazepane (PubChem CID 71691343) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[3-(phenoxymethyl)phenyl]sulfonylazepane.

Molecular Properties

Compound Name1-[3-(phenoxymethyl)phenyl]sulfonylazepane
PubChem CID71691343
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name1-[3-(phenoxymethyl)phenyl]sulfonylazepane
SMILESO=S(=O)(c1cccc(COc2ccccc2)c1)N1CCCCCC1
InChIInChI=1S/C19H23NO3S/c21-24(22,20-13-6-1-2-7-14-20)19-12-8-9-17(15-19)16-23-18-10-4-3-5-11-18/h3-5,8-12,15H,1-2,6-7,13-14,16H2
InChIKeyZCVBFCZZLHYCTH-UHFFFAOYSA-N
XLogP3.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[3-(phenoxymethyl)phenyl]sulfonylpiperazine
CID 71691327
1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
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N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 4511482
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893
1-(3-propylphenyl)sulfonylpyrrolidine
CID 142264878
(4-phenylmethoxyphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 4784120
1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
CID 8531809
2-methoxy-N-(4-phenylmethoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590899
phenyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 3927953
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
CID 7542694

Frequently Asked Questions

What is the IUPAC name of 1-[3-(phenoxymethyl)phenyl]sulfonylazepane?
The IUPAC name of 1-[3-(phenoxymethyl)phenyl]sulfonylazepane (CID 71691343) is 1-[3-(phenoxymethyl)phenyl]sulfonylazepane.
What is the SMILES notation for 1-[3-(phenoxymethyl)phenyl]sulfonylazepane?
The canonical SMILES for 1-[3-(phenoxymethyl)phenyl]sulfonylazepane is O=S(=O)(c1cccc(COc2ccccc2)c1)N1CCCCCC1.
What is the InChIKey of 1-[3-(phenoxymethyl)phenyl]sulfonylazepane?
The InChIKey is ZCVBFCZZLHYCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c21-24(22,20-13-6-1-2-7-14-20)19-12-8-9-17(15-19)16-23-18-10-4-3-5-11-18/h3-5,8-12,15H,1-2,6-7,13-14,16H2.
What are the key properties of 1-[3-(phenoxymethyl)phenyl]sulfonylazepane?
1-[3-(phenoxymethyl)phenyl]sulfonylazepane has a molecular weight of 345.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(phenoxymethyl)phenyl]sulfonylazepane is sourced from PubChem (CID 71691343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).