[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone

C19H28ClN3O5S2 — CID 46489746

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H28ClN3O5S2/c1-2-14-29(25,26)23-9-3-4-16(15-23)19(24)21-10-12-22(13-11-21)30(27,28)18-7-5-17(20)6-8-18/h5-8,16H,2-4,9-15H2,1H3
InChIKeyMGRNVGXKMWASQT-UHFFFAOYSA-N
MW478.04 g/mol
LogP1.62
Rot. Bonds6

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone (PubChem CID 46489746) has the molecular formula C19H28ClN3O5S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
PubChem CID46489746
Molecular FormulaC19H28ClN3O5S2
Molecular Weight478.04 g/mol
Exact Mass477.12
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H28ClN3O5S2/c1-2-14-29(25,26)23-9-3-4-16(15-23)19(24)21-10-12-22(13-11-21)30(27,28)18-7-5-17(20)6-8-18/h5-8,16H,2-4,9-15H2,1H3
InChIKeyMGRNVGXKMWASQT-UHFFFAOYSA-N
XLogP1.62
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
ethyl 4-[(3R)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 98670288
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
ethyl 1-[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 126234271
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 51931000
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55556370
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55509949
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55555673

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone (CID 46489746) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone is CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone?
The InChIKey is MGRNVGXKMWASQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O5S2/c1-2-14-29(25,26)23-9-3-4-16(15-23)19(24)21-10-12-22(13-11-21)30(27,28)18-7-5-17(20)6-8-18/h5-8,16H,2-4,9-15H2,1H3.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone has a molecular weight of 478.04 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 46489746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).