N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

C22H25N5O2S — CID 23604903

IUPACN-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C22H25N5O2S/c28-30(29,20-10-5-2-6-11-20)25-18-21(19-8-3-1-4-9-19)26-14-16-27(17-15-26)22-23-12-7-13-24-22/h1-13,21,25H,14-18H2
InChIKeyVARKPRFDZSJHIL-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.32
Rot. Bonds7

About N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 23604903) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID23604903
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C22H25N5O2S/c28-30(29,20-10-5-2-6-11-20)25-18-21(19-8-3-1-4-9-19)26-14-16-27(17-15-26)22-23-12-7-13-24-22/h1-13,21,25H,14-18H2
InChIKeyVARKPRFDZSJHIL-UHFFFAOYSA-N
XLogP2.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 7087582
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
N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 92669835
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4830143
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40607001
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40606999
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 4842592
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 23604903) is N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccccc1)N1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is VARKPRFDZSJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c28-30(29,20-10-5-2-6-11-20)25-18-21(19-8-3-1-4-9-19)26-14-16-27(17-15-26)22-23-12-7-13-24-22/h1-13,21,25H,14-18H2.
What are the key properties of N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 423.54 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 23604903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).