4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine

C21H19ClF2N4O2S — CID 54582057

IUPAC4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C21H19ClF2N4O2S/c22-15-3-1-14(2-4-15)19-7-10-25-21(27-19)26-17-8-11-28(12-9-17)31(29,30)20-6-5-16(23)13-18(20)24/h1-7,10,13,17H,8-9,11-12H2,(H,25,26,27)
InChIKeyHIYBEZSTTBXJSB-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.34
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine

4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (PubChem CID 54582057) has the molecular formula C21H19ClF2N4O2S and a molecular weight of 464.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
PubChem CID54582057
Molecular FormulaC21H19ClF2N4O2S
Molecular Weight464.93 g/mol
Exact Mass464.09
IUPAC Name4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C21H19ClF2N4O2S/c22-15-3-1-14(2-4-15)19-7-10-25-21(27-19)26-17-8-11-28(12-9-17)31(29,30)20-6-5-16(23)13-18(20)24/h1-7,10,13,17H,8-9,11-12H2,(H,25,26,27)
InChIKeyHIYBEZSTTBXJSB-UHFFFAOYSA-N
XLogP4.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (CID 54582057) is 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is O=S(=O)(c1ccc(F)cc1F)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The InChIKey is HIYBEZSTTBXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O2S/c22-15-3-1-14(2-4-15)19-7-10-25-21(27-19)26-17-8-11-28(12-9-17)31(29,30)20-6-5-16(23)13-18(20)24/h1-7,10,13,17H,8-9,11-12H2,(H,25,26,27).
What are the key properties of 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine has a molecular weight of 464.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 54582057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).