4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide

C18H27N3O3S — CID 113073023

IUPAC4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-19(2)25(23,24)17-9-7-15(8-10-17)18(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16H,3-6,11-14H2,1-2H3
InChIKeyJSNDNOVINKLCDU-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.64
Rot. Bonds4

About 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide

4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 113073023) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID113073023
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-19(2)25(23,24)17-9-7-15(8-10-17)18(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16H,3-6,11-14H2,1-2H3
InChIKeyJSNDNOVINKLCDU-UHFFFAOYSA-N
XLogP1.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(4-cyclopentylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 55584050
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 8803174
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
4-(4-cyclohexylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168545
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 39086658
1-[4-(dimethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354199
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide (CID 113073023) is 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is JSNDNOVINKLCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-19(2)25(23,24)17-9-7-15(8-10-17)18(22)21-13-11-20(12-14-21)16-5-3-4-6-16/h7-10,16H,3-6,11-14H2,1-2H3.
What are the key properties of 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 113073023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).