1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone

C18H25ClN2O5S — CID 30147236

IUPAC1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCCCCC1
InChIInChI=1S/C18H25ClN2O5S/c19-15-5-6-16(26-14-18(22)20-7-3-1-2-4-8-20)17(13-15)27(23,24)21-9-11-25-12-10-21/h5-6,13H,1-4,7-12,14H2
InChIKeyARWMTVNMDALYES-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.14
Rot. Bonds5

About 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone

1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone (PubChem CID 30147236) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
PubChem CID30147236
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Name1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCCCCC1
InChIInChI=1S/C18H25ClN2O5S/c19-15-5-6-16(26-14-18(22)20-7-3-1-2-4-8-20)17(13-15)27(23,24)21-9-11-25-12-10-21/h5-6,13H,1-4,7-12,14H2
InChIKeyARWMTVNMDALYES-UHFFFAOYSA-N
XLogP2.14
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 30147244
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 30147219
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 92647753
N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 5306904
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30147474
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30146041
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone (CID 30147236) is 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone is O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone?
The InChIKey is ARWMTVNMDALYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c19-15-5-6-16(26-14-18(22)20-7-3-1-2-4-8-20)17(13-15)27(23,24)21-9-11-25-12-10-21/h5-6,13H,1-4,7-12,14H2.
What are the key properties of 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone?
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone has a molecular weight of 416.93 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone is sourced from PubChem (CID 30147236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).