4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride

C20H28Cl2N4O2S — CID 70156577

IUPAC4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
SMILESCN(C)CCN(c1ccccc1N1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H27ClN4O2S.ClH/c1-23(2)15-16-25(28(26,27)18-9-7-17(21)8-10-18)20-6-4-3-5-19(20)24-13-11-22-12-14-24;/h3-10,22H,11-16H2,1-2H3;1H
InChIKeyWJCKASGOXAODLY-UHFFFAOYSA-N
MW459.44 g/mol
LogP2.93
Rot. Bonds7

About 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride

4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride (PubChem CID 70156577) has the molecular formula C20H28Cl2N4O2S and a molecular weight of 459.44 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
PubChem CID70156577
Molecular FormulaC20H28Cl2N4O2S
Molecular Weight459.44 g/mol
Exact Mass458.13
IUPAC Name4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
SMILESCN(C)CCN(c1ccccc1N1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H27ClN4O2S.ClH/c1-23(2)15-16-25(28(26,27)18-9-7-17(21)8-10-18)20-6-4-3-5-19(20)24-13-11-22-12-14-24;/h3-10,22H,11-16H2,1-2H3;1H
InChIKeyWJCKASGOXAODLY-UHFFFAOYSA-N
XLogP2.93
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 70158919
N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide
CID 58996595
ethyl 3-chloro-5-[2-phenylethyl-(2-piperazin-1-ylphenyl)sulfamoyl]-1H-indole-2-carboxylate
CID 166065095
N-(4-chlorophenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide;hydrochloride
CID 10204374
4-chloro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)benzenesulfonamide
CID 2977182
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
4-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)butanoic acid
CID 50890002
1-(2-chlorophenyl)piperazine
CID 162116490
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
N-(3-chloro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
CID 10205203
1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole
CID 46204683
3-(N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanoic acid
CID 50890531

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride (CID 70156577) is 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride is CN(C)CCN(c1ccccc1N1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride?
The InChIKey is WJCKASGOXAODLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2S.ClH/c1-23(2)15-16-25(28(26,27)18-9-7-17(21)8-10-18)20-6-4-3-5-19(20)24-13-11-22-12-14-24;/h3-10,22H,11-16H2,1-2H3;1H.
What are the key properties of 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride?
4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride has a molecular weight of 459.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 70156577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).