2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone

C24H23Cl2NO4S — CID 11420479

IUPAC2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone
SMILESO=C(COCc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C24H23Cl2NO4S/c25-21-14-22(26)24(32(29,30)27-10-4-1-5-11-27)13-20(21)15-31-16-23(28)19-9-8-17-6-2-3-7-18(17)12-19/h2-3,6-9,12-14H,1,4-5,10-11,15-16H2
InChIKeyZMWOVKGJLKHXDH-UHFFFAOYSA-N
MW492.42 g/mol
LogP5.72
Rot. Bonds7

About 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone

2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone (PubChem CID 11420479) has the molecular formula C24H23Cl2NO4S and a molecular weight of 492.42 g/mol. Its IUPAC name is 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone
PubChem CID11420479
Molecular FormulaC24H23Cl2NO4S
Molecular Weight492.42 g/mol
Exact Mass491.07
IUPAC Name2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone
SMILESO=C(COCc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C24H23Cl2NO4S/c25-21-14-22(26)24(32(29,30)27-10-4-1-5-11-27)13-20(21)15-31-16-23(28)19-9-8-17-6-2-3-7-18(17)12-19/h2-3,6-9,12-14H,1,4-5,10-11,15-16H2
InChIKeyZMWOVKGJLKHXDH-UHFFFAOYSA-N
XLogP5.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-pyridin-4-ylethanone
CID 11774197
2-(2-chlorophenoxy)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 2640425
2-phenoxyethyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513690
[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806934
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 2514204
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 16522118
(2-naphthalen-2-yl-2-oxoethyl) 2-chloro-5-piperidin-1-ylsulfinylbenzoate
CID 142954307
2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(5-methyl-2-pyridinyl)ethanone
CID 11223980
2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-2-(3-methoxyphenyl)acetaldehyde
CID 87886255
N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2543514
[2-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2550567
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone?
The IUPAC name of 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone (CID 11420479) is 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone is O=C(COCc1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone?
The InChIKey is ZMWOVKGJLKHXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO4S/c25-21-14-22(26)24(32(29,30)27-10-4-1-5-11-27)13-20(21)15-31-16-23(28)19-9-8-17-6-2-3-7-18(17)12-19/h2-3,6-9,12-14H,1,4-5,10-11,15-16H2.
What are the key properties of 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone?
2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone has a molecular weight of 492.42 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-naphthalen-2-ylethanone is sourced from PubChem (CID 11420479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).