N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide

C19H28ClN3O3S — CID 1021986

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H28ClN3O3S/c1-27(25,26)23(17-7-3-2-4-8-17)15-19(24)22-12-10-21(11-13-22)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3
InChIKeyNVAIVGHVIFGBTF-UHFFFAOYSA-N
MW413.97 g/mol
LogP2.58
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide (PubChem CID 1021986) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
PubChem CID1021986
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H28ClN3O3S/c1-27(25,26)23(17-7-3-2-4-8-17)15-19(24)22-12-10-21(11-13-22)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3
InChIKeyNVAIVGHVIFGBTF-UHFFFAOYSA-N
XLogP2.58
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1364364
2-[N-(2-chlorophenyl)methanesulfonamido]-N-phenylacetamide
CID 4384110
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N~2~-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 4876025
N-(4-Chloro-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846651
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
1-[4-(3-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258306
1-(2-(4-(3-Chlorophenyl)piperazin-1-yl)acetyl)piperidine (4c)
CID 78782367
2-[(5-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-N-cyclohexyl-acetamide
CID 647018
n-[2-(Azepan-1-yl)-2-oxoethyl]-n-(4-chlorophenyl)methanesulfonamide
CID 881610
N~2~-(3-chloro-4-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 967375

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide (CID 1021986) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The InChIKey is NVAIVGHVIFGBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c1-27(25,26)23(17-7-3-2-4-8-17)15-19(24)22-12-10-21(11-13-22)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide has a molecular weight of 413.97 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide is sourced from PubChem (CID 1021986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).