2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide

C23H29N3O3S — CID 78857211

IUPAC2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H29N3O3S/c1-24(19-9-3-2-4-10-19)30(28,29)22-14-8-7-13-21(22)23(27)26-17-15-25(16-18-26)20-11-5-6-12-20/h2-4,7-10,13-14,20H,5-6,11-12,15-18H2,1H3
InChIKeyHQQJMZRWNCVGDC-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide

2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 78857211) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
PubChem CID78857211
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H29N3O3S/c1-24(19-9-3-2-4-10-19)30(28,29)22-14-8-7-13-21(22)23(27)26-17-15-25(16-18-26)20-11-5-6-12-20/h2-4,7-10,13-14,20H,5-6,11-12,15-18H2,1H3
InChIKeyHQQJMZRWNCVGDC-UHFFFAOYSA-N
XLogP3.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400127
N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 112765512
2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 119483296
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 51124033
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514848
[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31305883

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide (CID 78857211) is 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is HQQJMZRWNCVGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-24(19-9-3-2-4-10-19)30(28,29)22-14-8-7-13-21(22)23(27)26-17-15-25(16-18-26)20-11-5-6-12-20/h2-4,7-10,13-14,20H,5-6,11-12,15-18H2,1H3.
What are the key properties of 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide?
2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 78857211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).