[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone

C22H27NO4S — CID 90591711

IUPAC[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H27NO4S/c1-3-4-17-5-7-18(8-6-17)22(24)23-15-13-21(14-16-23)28(25,26)20-11-9-19(27-2)10-12-20/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyNTRIXQBWBZNLRU-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.73
Rot. Bonds6

About [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone

[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone (PubChem CID 90591711) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
PubChem CID90591711
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Name[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H27NO4S/c1-3-4-17-5-7-18(8-6-17)22(24)23-15-13-21(14-16-23)28(25,26)20-11-9-19(27-2)10-12-20/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyNTRIXQBWBZNLRU-UHFFFAOYSA-N
XLogP3.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]benzenesulfonamide
CID 46808163
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90589590
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone
CID 90594845
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]benzonitrile
CID 71809004
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone (CID 90591711) is [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone?
The InChIKey is NTRIXQBWBZNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4S/c1-3-4-17-5-7-18(8-6-17)22(24)23-15-13-21(14-16-23)28(25,26)20-11-9-19(27-2)10-12-20/h5-12,21H,3-4,13-16H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone?
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone has a molecular weight of 401.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone is sourced from PubChem (CID 90591711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).