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

C19H19ClN4O3S — CID 9082260

IUPACN-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H19ClN4O3S/c20-16-6-2-3-7-17(16)23-9-11-24(12-10-23)19(25)14-22-28(26,27)18-8-4-1-5-15(18)13-21/h1-8,22H,9-12,14H2
InChIKeyRGOQXDPSMHJLID-UHFFFAOYSA-N
MW418.91 g/mol
LogP1.84
Rot. Bonds5

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

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide (PubChem CID 9082260) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide
PubChem CID9082260
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H19ClN4O3S/c20-16-6-2-3-7-17(16)23-9-11-24(12-10-23)19(25)14-22-28(26,27)18-8-4-1-5-15(18)13-21/h1-8,22H,9-12,14H2
InChIKeyRGOQXDPSMHJLID-UHFFFAOYSA-N
XLogP1.84
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
(2-oxo-2-piperidin-1-ylethyl) 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653662
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994676
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774
1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
CID 139889249
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 9082532
N-(3-chloro-2-fluorophenyl)-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 9146475
2-cyano-N-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
CID 25482836

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide?
The IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide (CID 9082260) is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCC(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide?
The InChIKey is RGOQXDPSMHJLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-16-6-2-3-7-17(16)23-9-11-24(12-10-23)19(25)14-22-28(26,27)18-8-4-1-5-15(18)13-21/h1-8,22H,9-12,14H2.
What are the key properties of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide?
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide has a molecular weight of 418.91 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide is sourced from PubChem (CID 9082260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).