N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide

C23H34FN3O3S — CID 55599943

IUPACN-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C23H34FN3O3S/c1-25(21-10-3-2-4-11-21)31(29,30)27-16-14-26(15-17-27)22(28)23(12-5-6-13-23)19-8-7-9-20(24)18-19/h7-9,18,21H,2-6,10-17H2,1H3
InChIKeyMXKHQJCKAPNAEG-UHFFFAOYSA-N
MW451.61 g/mol
LogP3.29
Rot. Bonds5

About N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide

N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 55599943) has the molecular formula C23H34FN3O3S and a molecular weight of 451.61 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide
PubChem CID55599943
Molecular FormulaC23H34FN3O3S
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC NameN-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C23H34FN3O3S/c1-25(21-10-3-2-4-11-21)31(29,30)27-16-14-26(15-17-27)22(28)23(12-5-6-13-23)19-8-7-9-20(24)18-19/h7-9,18,21H,2-6,10-17H2,1H3
InChIKeyMXKHQJCKAPNAEG-UHFFFAOYSA-N
XLogP3.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55341520
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 60557113
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174632
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide (CID 55599943) is N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is MXKHQJCKAPNAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O3S/c1-25(21-10-3-2-4-11-21)31(29,30)27-16-14-26(15-17-27)22(28)23(12-5-6-13-23)19-8-7-9-20(24)18-19/h7-9,18,21H,2-6,10-17H2,1H3.
What are the key properties of N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide?
N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 451.61 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 55599943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).