2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone

C19H21ClN2O4S — CID 11774197

IUPAC2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone
SMILESO=C(COCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccncc1
InChIInChI=1S/C19H21ClN2O4S/c20-18-5-4-17(27(24,25)22-10-2-1-3-11-22)12-16(18)13-26-14-19(23)15-6-8-21-9-7-15/h4-9,12H,1-3,10-11,13-14H2
InChIKeyAONNBJUWNDUWFE-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.31
Rot. Bonds7

About 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone (PubChem CID 11774197) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone
PubChem CID11774197
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone
SMILESO=C(COCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccncc1
InChIInChI=1S/C19H21ClN2O4S/c20-18-5-4-17(27(24,25)22-10-2-1-3-11-22)12-16(18)13-26-14-19(23)15-6-8-21-9-7-15/h4-9,12H,1-3,10-11,13-14H2
InChIKeyAONNBJUWNDUWFE-UHFFFAOYSA-N
XLogP3.31
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone
CID 11223980
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4-dichlorobenzoate
CID 2640566
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 3595411
tert-butyl 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]acetate;2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]acetic acid
CID 159880687
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4651643
[2-(4-ethylphenyl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2689482
2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone
CID 11420479
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide
CID 69178578
2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone
CID 69157126
2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 2640425
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] pyridine-4-carboxylate
CID 7783940
2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide
CID 86610183

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone?
The IUPAC name of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone (CID 11774197) is 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone?
The canonical SMILES for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone is O=C(COCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccncc1.
What is the InChIKey of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone?
The InChIKey is AONNBJUWNDUWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c20-18-5-4-17(27(24,25)22-10-2-1-3-11-22)12-16(18)13-26-14-19(23)15-6-8-21-9-7-15/h4-9,12H,1-3,10-11,13-14H2.
What are the key properties of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone?
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone has a molecular weight of 408.91 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone is sourced from PubChem (CID 11774197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).