2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone

C20H23ClN2O4S — CID 69157126

IUPAC2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone
SMILESCC(OCC(=O)c1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-15(27-14-20(24)16-6-5-9-22-13-16)18-12-17(7-8-19(18)21)28(25,26)23-10-3-2-4-11-23/h5-9,12-13,15H,2-4,10-11,14H2,1H3
InChIKeyCRKFSRMZWTVYIT-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.87
Rot. Bonds7

About 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone

2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone (PubChem CID 69157126) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone
PubChem CID69157126
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone
SMILESCC(OCC(=O)c1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C20H23ClN2O4S/c1-15(27-14-20(24)16-6-5-9-22-13-16)18-12-17(7-8-19(18)21)28(25,26)23-10-3-2-4-11-23/h5-9,12-13,15H,2-4,10-11,14H2,1H3
InChIKeyCRKFSRMZWTVYIT-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 26641022
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone
CID 11774197
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
[2-(4-ethylphenyl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2689482
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4-dichlorobenzoate
CID 2640566
propan-2-yl 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 46668568
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-propan-2-yl-N-pyridin-3-ylpropanamide
CID 86847686
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2R)-2-phenoxypropanoate
CID 8790952
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 1265057

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone?
The IUPAC name of 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone (CID 69157126) is 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone?
The canonical SMILES for 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone is CC(OCC(=O)c1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone?
The InChIKey is CRKFSRMZWTVYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-15(27-14-20(24)16-6-5-9-22-13-16)18-12-17(7-8-19(18)21)28(25,26)23-10-3-2-4-11-23/h5-9,12-13,15H,2-4,10-11,14H2,1H3.
What are the key properties of 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone?
2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone has a molecular weight of 422.93 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-piperidin-1-ylsulfonylphenyl)ethoxy]-1-pyridin-3-ylethanone is sourced from PubChem (CID 69157126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).