N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide

C26H25N5O2S — CID 170392742

IUPACN-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cc(N2CCN(c3ccccc3)CC2)n1)c1ccccc1
InChIInChI=1S/C26H25N5O2S/c32-34(33,23-14-8-3-9-15-23)29-26-27-24(21-10-4-1-5-11-21)20-25(28-26)31-18-16-30(17-19-31)22-12-6-2-7-13-22/h1-15,20H,16-19H2,(H,27,28,29)
InChIKeyMOOIOJZOYUFNMW-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.27
Rot. Bonds6

About N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide

N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide (PubChem CID 170392742) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide
PubChem CID170392742
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cc(N2CCN(c3ccccc3)CC2)n1)c1ccccc1
InChIInChI=1S/C26H25N5O2S/c32-34(33,23-14-8-3-9-15-23)29-26-27-24(21-10-4-1-5-11-21)20-25(28-26)31-18-16-30(17-19-31)22-12-6-2-7-13-22/h1-15,20H,16-19H2,(H,27,28,29)
InChIKeyMOOIOJZOYUFNMW-UHFFFAOYSA-N
XLogP4.27
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112934438
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 50751160
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936484
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934156

Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide (CID 170392742) is N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccc2)cc(N2CCN(c3ccccc3)CC2)n1)c1ccccc1.
What is the InChIKey of N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide?
The InChIKey is MOOIOJZOYUFNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c32-34(33,23-14-8-3-9-15-23)29-26-27-24(21-10-4-1-5-11-21)20-25(28-26)31-18-16-30(17-19-31)22-12-6-2-7-13-22/h1-15,20H,16-19H2,(H,27,28,29).
What are the key properties of N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide?
N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide has a molecular weight of 471.59 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170392742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).