4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide

C21H21N5O3S — CID 90516591

IUPAC4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C21H21N5O3S/c22-30(28,29)18-8-6-17(7-9-18)21(27)26-12-10-25(11-13-26)20-14-19(23-15-24-20)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,22,28,29)
InChIKeyFVKSKSVFKQRHDA-UHFFFAOYSA-N
MW423.50 g/mol
LogP1.75
Rot. Bonds4

About 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 90516591) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID90516591
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C21H21N5O3S/c22-30(28,29)18-8-6-17(7-9-18)21(27)26-12-10-25(11-13-26)20-14-19(23-15-24-20)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,22,28,29)
InChIKeyFVKSKSVFKQRHDA-UHFFFAOYSA-N
XLogP1.75
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516583
[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl] acetate
CID 108736692
2-[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108759639
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
(3-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516750
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
(3-nitrophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516584
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 56764803
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 121107340
5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 108809049
(2-nitrophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56724560

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide (CID 90516591) is 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1.
What is the InChIKey of 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is FVKSKSVFKQRHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c22-30(28,29)18-8-6-17(7-9-18)21(27)26-12-10-25(11-13-26)20-14-19(23-15-24-20)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,22,28,29).
What are the key properties of 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 423.50 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 90516591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).