1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine

C22H22ClNO3S — CID 101248459

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H22ClNO3S/c1-16-21(23)7-4-8-22(16)28(25,26)24-13-11-19(12-14-24)27-20-10-9-17-5-2-3-6-18(17)15-20/h2-10,15,19H,11-14H2,1H3
InChIKeyLTWIDTVJAUPREI-UHFFFAOYSA-N
MW415.94 g/mol
LogP5.03
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine

1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine (PubChem CID 101248459) has the molecular formula C22H22ClNO3S and a molecular weight of 415.94 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
PubChem CID101248459
Molecular FormulaC22H22ClNO3S
Molecular Weight415.94 g/mol
Exact Mass415.10
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H22ClNO3S/c1-16-21(23)7-4-8-22(16)28(25,26)24-13-11-19(12-14-24)27-20-10-9-17-5-2-3-6-18(17)15-20/h2-10,15,19H,11-14H2,1H3
InChIKeyLTWIDTVJAUPREI-UHFFFAOYSA-N
XLogP5.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.94
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 119100620
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 90566562
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637208
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257105
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636786
1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine
CID 46354306
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine (CID 101248459) is 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine is Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine?
The InChIKey is LTWIDTVJAUPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3S/c1-16-21(23)7-4-8-22(16)28(25,26)24-13-11-19(12-14-24)27-20-10-9-17-5-2-3-6-18(17)15-20/h2-10,15,19H,11-14H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine?
1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine has a molecular weight of 415.94 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine is sourced from PubChem (CID 101248459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).