2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline

C18H22N2O4S — CID 3543051

IUPAC2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1N
InChIInChI=1S/C18H22N2O4S/c1-23-17-7-3-4-8-18(17)24-16-10-9-14(13-15(16)19)25(21,22)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12,19H2,1H3
InChIKeyQLGGEXGBYCUQIQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline

2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline (PubChem CID 3543051) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline
PubChem CID3543051
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1N
InChIInChI=1S/C18H22N2O4S/c1-23-17-7-3-4-8-18(17)24-16-10-9-14(13-15(16)19)25(21,22)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12,19H2,1H3
InChIKeyQLGGEXGBYCUQIQ-UHFFFAOYSA-N
XLogP3.24
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
CID 146049122
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methoxyaniline
CID 115558795
5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 3688661
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine
CID 19132660
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
(3S)-1-[4-(2-methoxyphenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine
CID 9279296
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline?
The IUPAC name of 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline (CID 3543051) is 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline is COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1N.
What is the InChIKey of 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline?
The InChIKey is QLGGEXGBYCUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-23-17-7-3-4-8-18(17)24-16-10-9-14(13-15(16)19)25(21,22)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12,19H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline?
2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline has a molecular weight of 362.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 3543051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).