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

C16H22ClN3O3S — CID 119678354

IUPAC(3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H22ClN3O3S/c17-13-2-5-15(6-3-13)24(22,23)20-9-7-19(8-10-20)16(21)12-1-4-14(18)11-12/h2-3,5-6,12,14H,1,4,7-11,18H2
InChIKeyMVEFCKCECVJCJM-UHFFFAOYSA-N
MW371.89 g/mol
LogP1.30
Rot. Bonds3

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

(3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 119678354) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID119678354
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name(3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H22ClN3O3S/c17-13-2-5-15(6-3-13)24(22,23)20-9-7-19(8-10-20)16(21)12-1-4-14(18)11-12/h2-3,5-6,12,14H,1,4,7-11,18H2
InChIKeyMVEFCKCECVJCJM-UHFFFAOYSA-N
XLogP1.30
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
1-[4-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone;hydrochloride
CID 119685679
(3-aminocyclopentyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119678248
5-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119696028
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496065
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 52724337
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 46489746

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 119678354) is (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone is NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MVEFCKCECVJCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c17-13-2-5-15(6-3-13)24(22,23)20-9-7-19(8-10-20)16(21)12-1-4-14(18)11-12/h2-3,5-6,12,14H,1,4,7-11,18H2.
What are the key properties of (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
(3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 371.89 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 119678354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).