1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine

C18H20ClNO3S — CID 139619012

IUPAC1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H20ClNO3S/c1-23-17-4-2-3-15(13-17)14-9-11-20(12-10-14)24(21,22)18-7-5-16(19)6-8-18/h2-8,13-14H,9-12H2,1H3
InChIKeyLZFXLUUTYLYDJD-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine

1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine (PubChem CID 139619012) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine
PubChem CID139619012
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C18H20ClNO3S/c1-23-17-4-2-3-15(13-17)14-9-11-20(12-10-14)24(21,22)18-7-5-16(19)6-8-18/h2-8,13-14H,9-12H2,1H3
InChIKeyLZFXLUUTYLYDJD-UHFFFAOYSA-N
XLogP3.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 171678470
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16824109
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 35934098

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine (CID 139619012) is 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine is COc1cccc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine?
The InChIKey is LZFXLUUTYLYDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-23-17-4-2-3-15(13-17)14-9-11-20(12-10-14)24(21,22)18-7-5-16(19)6-8-18/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine?
1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine has a molecular weight of 365.88 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine is sourced from PubChem (CID 139619012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).