4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide

C32H34Cl2N4O4S2 — CID 7067570

IUPAC4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)N1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C32H34Cl2N4O4S2/c33-27-11-15-29(16-12-27)43(39,40)35-23-31(25-7-3-1-4-8-25)37-19-21-38(22-20-37)32(26-9-5-2-6-10-26)24-36-44(41,42)30-17-13-28(34)14-18-30/h1-18,31-32,35-36H,19-24H2/t31-,32-/m1/s1
InChIKeyCUDRXQXFMFWCES-ROJLCIKYSA-N
MW673.69 g/mol
LogP5.35
Rot. Bonds12

About 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide

4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide (PubChem CID 7067570) has the molecular formula C32H34Cl2N4O4S2 and a molecular weight of 673.69 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
PubChem CID7067570
Molecular FormulaC32H34Cl2N4O4S2
Molecular Weight673.69 g/mol
Exact Mass672.14
IUPAC Name4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)N1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C32H34Cl2N4O4S2/c33-27-11-15-29(16-12-27)43(39,40)35-23-31(25-7-3-1-4-8-25)37-19-21-38(22-20-37)32(26-9-5-2-6-10-26)24-36-44(41,42)30-17-13-28(34)14-18-30/h1-18,31-32,35-36H,19-24H2/t31-,32-/m1/s1
InChIKeyCUDRXQXFMFWCES-ROJLCIKYSA-N
XLogP5.35
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.69
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[(2R)-2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 92669850
N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 112503214
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 4842592

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide (CID 7067570) is 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide is O=S(=O)(NC[C@H](c1ccccc1)N1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The InChIKey is CUDRXQXFMFWCES-ROJLCIKYSA-N. The full InChI is InChI=1S/C32H34Cl2N4O4S2/c33-27-11-15-29(16-12-27)43(39,40)35-23-31(25-7-3-1-4-8-25)37-19-21-38(22-20-37)32(26-9-5-2-6-10-26)24-36-44(41,42)30-17-13-28(34)14-18-30/h1-18,31-32,35-36H,19-24H2/t31-,32-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide has a molecular weight of 673.69 g/mol, XLogP of 5.35, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 7067570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).