N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine

C18H19ClN6O2S — CID 141271881

IUPACN-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC(Nc2nccc(-c3cnc[nH]3)n2)C1
InChIInChI=1S/C18H19ClN6O2S/c19-13-3-5-15(6-4-13)28(26,27)25-9-1-2-14(11-25)23-18-21-8-7-16(24-18)17-10-20-12-22-17/h3-8,10,12,14H,1-2,9,11H2,(H,20,22)(H,21,23,24)
InChIKeyKEIIXVPSUCWFJK-UHFFFAOYSA-N
MW418.91 g/mol
LogP2.79
Rot. Bonds5

About N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine

N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine (PubChem CID 141271881) has the molecular formula C18H19ClN6O2S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine
PubChem CID141271881
Molecular FormulaC18H19ClN6O2S
Molecular Weight418.91 g/mol
Exact Mass418.10
IUPAC NameN-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC(Nc2nccc(-c3cnc[nH]3)n2)C1
InChIInChI=1S/C18H19ClN6O2S/c19-13-3-5-15(6-4-13)28(26,27)25-9-1-2-14(11-25)23-18-21-8-7-16(24-18)17-10-20-12-22-17/h3-8,10,12,14H,1-2,9,11H2,(H,20,22)(H,21,23,24)
InChIKeyKEIIXVPSUCWFJK-UHFFFAOYSA-N
XLogP2.79
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-[6-[4-(nitrosomethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 91556409
4-[6-(3-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 57463152
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187664
ethyl 4-[5-[2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]benzoate
CID 57463195
N-[3-[5-[2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]methanesulfonamide
CID 57463189
[3-[5-[2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenyl] dihydrogen phosphate
CID 59408983
N-[(3R)-1-(3,5-dichlorophenyl)sulfonylpiperidin-3-yl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
CID 57463107
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 57433727
4-(azepan-1-yl)-N-[1-[1-(benzenesulfonyl)piperidin-3-yl]piperidin-3-yl]pyrimidin-2-amine
CID 66903312
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-[1-(benzenesulfonyl)piperidin-3-yl]azepan-3-amine
CID 66903733

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine (CID 141271881) is N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine is O=S(=O)(c1ccc(Cl)cc1)N1CCCC(Nc2nccc(-c3cnc[nH]3)n2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine?
The InChIKey is KEIIXVPSUCWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2S/c19-13-3-5-15(6-4-13)28(26,27)25-9-1-2-14(11-25)23-18-21-8-7-16(24-18)17-10-20-12-22-17/h3-8,10,12,14H,1-2,9,11H2,(H,20,22)(H,21,23,24).
What are the key properties of N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine?
N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine has a molecular weight of 418.91 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 141271881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).