4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine

C16H20ClN5O3S — CID 31537662

IUPAC4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)cc1
InChIInChI=1S/C16H20ClN5O3S/c1-2-25-12-3-5-13(6-4-12)26(23,24)22-9-7-21(8-10-22)15-11-14(17)19-16(18)20-15/h3-6,11H,2,7-10H2,1H3,(H2,18,19,20)
InChIKeyKAJVBTGITUODPJ-UHFFFAOYSA-N
MW397.89 g/mol
LogP1.62
Rot. Bonds5

About 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine (PubChem CID 31537662) has the molecular formula C16H20ClN5O3S and a molecular weight of 397.89 g/mol. Its IUPAC name is 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
PubChem CID31537662
Molecular FormulaC16H20ClN5O3S
Molecular Weight397.89 g/mol
Exact Mass397.10
IUPAC Name4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)cc1
InChIInChI=1S/C16H20ClN5O3S/c1-2-25-12-3-5-13(6-4-12)26(23,24)22-9-7-21(8-10-22)15-11-14(17)19-16(18)20-15/h3-6,11H,2,7-10H2,1H3,(H2,18,19,20)
InChIKeyKAJVBTGITUODPJ-UHFFFAOYSA-N
XLogP1.62
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 27653118
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345028
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537658
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(4-ethoxyphenyl)pyrimidine
CID 121107425
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
CID 55377896
3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384897

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine (CID 31537662) is 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine is CCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)cc1.
What is the InChIKey of 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine?
The InChIKey is KAJVBTGITUODPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O3S/c1-2-25-12-3-5-13(6-4-12)26(23,24)22-9-7-21(8-10-22)15-11-14(17)19-16(18)20-15/h3-6,11H,2,7-10H2,1H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine has a molecular weight of 397.89 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 31537662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).