1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine

C17H18ClNO3S — CID 110358894

IUPAC1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H18ClNO3S/c18-14-5-4-6-16(13-14)22-15-9-11-19(12-10-15)23(20,21)17-7-2-1-3-8-17/h1-8,13,15H,9-12H2
InChIKeySDMHWWWRDUGAHE-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.57
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine

1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine (PubChem CID 110358894) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
PubChem CID110358894
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H18ClNO3S/c18-14-5-4-6-16(13-14)22-15-9-11-19(12-10-15)23(20,21)17-7-2-1-3-8-17/h1-8,13,15H,9-12H2
InChIKeySDMHWWWRDUGAHE-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
CID 110358899
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
CID 110358892
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine
CID 90560524
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenoxypiperidine
CID 110396758
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine (CID 110358894) is 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine is O=S(=O)(c1ccccc1)N1CCC(Oc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine?
The InChIKey is SDMHWWWRDUGAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c18-14-5-4-6-16(13-14)22-15-9-11-19(12-10-15)23(20,21)17-7-2-1-3-8-17/h1-8,13,15H,9-12H2.
What are the key properties of 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine?
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine has a molecular weight of 351.86 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine is sourced from PubChem (CID 110358894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).