5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

C20H20FN5O2S — CID 91887069

IUPAC5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESNc1nc(N2CCN(c3ccc(F)cc3)CC2)ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20FN5O2S/c21-15-6-8-16(9-7-15)25-10-12-26(13-11-25)20-23-14-18(19(22)24-20)29(27,28)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H2,22,23,24)
InChIKeyIRVUDENIYCADFX-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.36
Rot. Bonds4

About 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine

5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 91887069) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID91887069
Molecular FormulaC20H20FN5O2S
Molecular Weight413.48 g/mol
Exact Mass413.13
IUPAC Name5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESNc1nc(N2CCN(c3ccc(F)cc3)CC2)ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20FN5O2S/c21-15-6-8-16(9-7-15)25-10-12-26(13-11-25)20-23-14-18(19(22)24-20)29(27,28)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H2,22,23,24)
InChIKeyIRVUDENIYCADFX-UHFFFAOYSA-N
XLogP2.36
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(4-methylphenyl)sulfonylpyrimidin-4-amine
CID 53490643
5-(benzenesulfonyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
CID 50840637
2-(azepan-1-yl)-5-(4-methylphenyl)sulfonylpyrimidin-4-amine
CID 53490639
2-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine
CID 53490612
5-(3-methylphenyl)sulfonyl-2-thiomorpholin-4-ylpyrimidin-4-amine
CID 53490783
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143912
1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]piperidin-4-one
CID 53490623
ethyl 1-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 50840655
2-[4-(2-methylpropyl)piperazin-1-yl]-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-4-amine
CID 53490628
3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium
CID 2138471
3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299454

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine (CID 91887069) is 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is Nc1nc(N2CCN(c3ccc(F)cc3)CC2)ncc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is IRVUDENIYCADFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c21-15-6-8-16(9-7-15)25-10-12-26(13-11-25)20-23-14-18(19(22)24-20)29(27,28)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H2,22,23,24).
What are the key properties of 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine?
5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 413.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 91887069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).