[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone

C16H22ClN3O3S — CID 1091482

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O3S/c17-14-4-6-15(7-5-14)24(22,23)20-12-10-19(11-13-20)16(21)18-8-2-1-3-9-18/h4-7H,1-3,8-13H2
InChIKeyZPJDQUYDYGWBNF-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.25
Rot. Bonds2

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 1091482) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID1091482
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O3S/c17-14-4-6-15(7-5-14)24(22,23)20-12-10-19(11-13-20)16(21)18-8-2-1-3-9-18/h4-7H,1-3,8-13H2
InChIKeyZPJDQUYDYGWBNF-UHFFFAOYSA-N
XLogP2.25
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
(4-((4-Chlorophenyl)sulfonyl)piperazin-1-yl)(morpholino)methanone
CID 1091481
2-[4-(3,4-Dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 9533976
[4-(Benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone
CID 2929432
2-[4-(3-Chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8757980
1'-[(4-Chlorophenyl)sulfonyl]-1,4'-bipiperidine
CID 1121407
Benzenesulfonamide, 4-chloro-N-(((1-methylethyl)amino)carbonyl)-, compd. with piperidine (1:1)
CID 3087270
4-[(4-Fluorophenyl)sulfonyl]piperazinyl piperidyl ketone
CID 1094977
1-[(4-Chlorophenyl)sulfonyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 1151844
4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1252509
N-[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-4-methyl-1-piperazinecarboxamide
CID 2998136

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone (CID 1091482) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is ZPJDQUYDYGWBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c17-14-4-6-15(7-5-14)24(22,23)20-12-10-19(11-13-20)16(21)18-8-2-1-3-9-18/h4-7H,1-3,8-13H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 371.89 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1091482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).