N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide

C25H29N3O4S2 — CID 4830143

IUPACN-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H29N3O4S2/c29-33(30,21-22-10-4-1-5-11-22)28-18-16-27(17-19-28)25(23-12-6-2-7-13-23)20-26-34(31,32)24-14-8-3-9-15-24/h1-15,25-26H,16-21H2
InChIKeyGJFARJMYYRUXQA-UHFFFAOYSA-N
MW499.66 g/mol
LogP2.85
Rot. Bonds9

About N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide

N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 4830143) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID4830143
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC NameN-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H29N3O4S2/c29-33(30,21-22-10-4-1-5-11-22)28-18-16-27(17-19-28)25(23-12-6-2-7-13-23)20-26-34(31,32)24-14-8-3-9-15-24/h1-15,25-26H,16-21H2
InChIKeyGJFARJMYYRUXQA-UHFFFAOYSA-N
XLogP2.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 4842592
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
1-benzhydryl-4-benzylsulfonylpiperazine
CID 19682697
N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 23604903
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 92669835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide (CID 4830143) is N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is GJFARJMYYRUXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c29-33(30,21-22-10-4-1-5-11-22)28-18-16-27(17-19-28)25(23-12-6-2-7-13-23)20-26-34(31,32)24-14-8-3-9-15-24/h1-15,25-26H,16-21H2.
What are the key properties of N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide?
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 499.66 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 4830143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).