1-(4-phenoxyphenyl)sulfonylpiperidine

C17H19NO3S — CID 779936

IUPAC1-(4-phenoxyphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C17H19NO3S/c19-22(20,18-13-5-2-6-14-18)17-11-9-16(10-12-17)21-15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyJMJYFJSMFLWAKM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-phenoxyphenyl)sulfonylpiperidine

1-(4-phenoxyphenyl)sulfonylpiperidine (PubChem CID 779936) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)sulfonylpiperidine
PubChem CID779936
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-(4-phenoxyphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C17H19NO3S/c19-22(20,18-13-5-2-6-14-18)17-11-9-16(10-12-17)21-15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyJMJYFJSMFLWAKM-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 23959078
4-methylsulfonyl-1-(4-phenoxyphenyl)sulfonylpiperidine
CID 90586579
3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 852139
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
1-[3-nitro-4-(3-phenoxyphenoxy)phenyl]sulfonylpiperidine
CID 3655786
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-phenoxyphenyl)methanone
CID 17491479
2-(4-phenoxyphenyl)sulfonyl-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole
CID 24737586
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-phenoxyphenyl)sulfonylpiperidine (CID 779936) is 1-(4-phenoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-phenoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-phenoxyphenyl)sulfonylpiperidine is O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCCCC1.
What is the InChIKey of 1-(4-phenoxyphenyl)sulfonylpiperidine?
The InChIKey is JMJYFJSMFLWAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-22(20,18-13-5-2-6-14-18)17-11-9-16(10-12-17)21-15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2.
What are the key properties of 1-(4-phenoxyphenyl)sulfonylpiperidine?
1-(4-phenoxyphenyl)sulfonylpiperidine has a molecular weight of 317.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 779936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).