N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide

C24H26Cl2N4O2S — CID 70158919

IUPACN-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide
SMILESNCCN(c1ccccc1N1CCN(c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl2N4O2S/c25-19-5-9-21(10-6-19)28-15-17-29(18-16-28)23-3-1-2-4-24(23)30(14-13-27)33(31,32)22-11-7-20(26)8-12-22/h1-12H,13-18,27H2
InChIKeyJTBYEZRMXZCGPL-UHFFFAOYSA-N
MW505.47 g/mol
LogP4.47
Rot. Bonds7

About N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide

N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide (PubChem CID 70158919) has the molecular formula C24H26Cl2N4O2S and a molecular weight of 505.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide
PubChem CID70158919
Molecular FormulaC24H26Cl2N4O2S
Molecular Weight505.47 g/mol
Exact Mass504.12
IUPAC NameN-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide
SMILESNCCN(c1ccccc1N1CCN(c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl2N4O2S/c25-19-5-9-21(10-6-19)28-15-17-29(18-16-28)23-3-1-2-4-24(23)30(14-13-27)33(31,32)22-11-7-20(26)8-12-22/h1-12H,13-18,27H2
InChIKeyJTBYEZRMXZCGPL-UHFFFAOYSA-N
XLogP4.47
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide 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

4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-piperazin-1-ylphenyl)benzenesulfonamide;hydrochloride
CID 70156577
4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 71624432
4-chloro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)benzenesulfonamide
CID 2977182
N-(2-aminoethyl)-4-chloro-N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]phenyl]benzenesulfonamide
CID 22452867
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502510
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 67800410
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
3-(N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanoic acid
CID 50890531
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500876
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
4-[4-[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]benzenesulfonamide
CID 112840789

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide (CID 70158919) is N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide is NCCN(c1ccccc1N1CCN(c2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide?
The InChIKey is JTBYEZRMXZCGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2S/c25-19-5-9-21(10-6-19)28-15-17-29(18-16-28)23-3-1-2-4-24(23)30(14-13-27)33(31,32)22-11-7-20(26)8-12-22/h1-12H,13-18,27H2.
What are the key properties of N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide?
N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide has a molecular weight of 505.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 70158919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).