[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone

C21H26N2O5S — CID 8924542

IUPAC[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-16-28-19-6-4-17(5-7-19)21(24)22-12-14-23(15-13-22)29(25,26)20-10-8-18(27-2)9-11-20/h4-11H,3,12-16H2,1-2H3
InChIKeyBQKSYFHYLUYCPQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.63
Rot. Bonds7

About [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone (PubChem CID 8924542) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
PubChem CID8924542
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-16-28-19-6-4-17(5-7-19)21(24)22-12-14-23(15-13-22)29(25,26)20-10-8-18(27-2)9-11-20/h4-11H,3,12-16H2,1-2H3
InChIKeyBQKSYFHYLUYCPQ-UHFFFAOYSA-N
XLogP2.63
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 2225522
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[4-(benzenesulfonyl)piperazin-1-yl]-(4-butoxyphenyl)methanone
CID 9496030
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
(4-butoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 33050314
[4-(aminomethyl)phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265565
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 30872670
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941
(4-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 29096991
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4820388

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone (CID 8924542) is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone?
The InChIKey is BQKSYFHYLUYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-16-28-19-6-4-17(5-7-19)21(24)22-12-14-23(15-13-22)29(25,26)20-10-8-18(27-2)9-11-20/h4-11H,3,12-16H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone?
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone has a molecular weight of 418.52 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone is sourced from PubChem (CID 8924542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).