2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone

C20H23ClN2O4S — CID 11223980

IUPAC2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(C(=O)COCc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)nc1
InChIInChI=1S/C20H23ClN2O4S/c1-15-5-8-19(22-12-15)20(24)14-27-13-16-11-17(6-7-18(16)21)28(25,26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13-14H2,1H3
InChIKeyLGYIHEWHGCUEHZ-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.62
Rot. Bonds7

About 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone (PubChem CID 11223980) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone
PubChem CID11223980
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(C(=O)COCc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)nc1
InChIInChI=1S/C20H23ClN2O4S/c1-15-5-8-19(22-12-15)20(24)14-27-13-16-11-17(6-7-18(16)21)28(25,26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13-14H2,1H3
InChIKeyLGYIHEWHGCUEHZ-UHFFFAOYSA-N
XLogP3.62
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone
CID 11774197
tert-butyl 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]acetate;2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]acetic acid
CID 159880687
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
CID 46791995
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-pyridin-2-ylpropanamide
CID 69178578
2-[(2-chloro-5-piperazin-1-ylsulfonylphenyl)methoxy]-N-methoxy-N-methylacetamide
CID 86610183
(2-methoxy-5-methylphenyl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
CID 55384474
4-chloro-N-ethyl-N-methyl-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]benzenesulfonamide
CID 11361076
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4-dichlorobenzoate
CID 2640566
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-N-phenylpropanamide
CID 90733388
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533456
2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone
CID 11420479

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone (CID 11223980) is 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(C(=O)COCc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)nc1.
What is the InChIKey of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is LGYIHEWHGCUEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-15-5-8-19(22-12-15)20(24)14-27-13-16-11-17(6-7-18(16)21)28(25,26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13-14H2,1H3.
What are the key properties of 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone?
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 422.93 g/mol, XLogP of 3.62, 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-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 11223980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).