[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone

C17H22Cl2N2O3S — CID 55376414

IUPAC[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CCCC1
InChIInChI=1S/C17H22Cl2N2O3S/c1-17(6-2-3-7-17)16(22)20-8-10-21(11-9-20)25(23,24)13-4-5-14(18)15(19)12-13/h4-5,12H,2-3,6-11H2,1H3
InChIKeyJROITZZKORRCKQ-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.41
Rot. Bonds3

About [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone (PubChem CID 55376414) has the molecular formula C17H22Cl2N2O3S and a molecular weight of 405.35 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone
PubChem CID55376414
Molecular FormulaC17H22Cl2N2O3S
Molecular Weight405.35 g/mol
Exact Mass404.07
IUPAC Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CCCC1
InChIInChI=1S/C17H22Cl2N2O3S/c1-17(6-2-3-7-17)16(22)20-8-10-21(11-9-20)25(23,24)13-4-5-14(18)15(19)12-13/h4-5,12H,2-3,6-11H2,1H3
InChIKeyJROITZZKORRCKQ-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 8925068
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678846
N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 27534567
(1-aminocyclopentyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119265754
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 9496652
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 55648299
6-[4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 17482980
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119678843
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 55996666

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone (CID 55376414) is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone is CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CCCC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone?
The InChIKey is JROITZZKORRCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3S/c1-17(6-2-3-7-17)16(22)20-8-10-21(11-9-20)25(23,24)13-4-5-14(18)15(19)12-13/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone?
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone has a molecular weight of 405.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 55376414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).