4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine

C19H24ClN5O3S — CID 50947997

IUPAC4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24ClN5O3S/c1-15-14-18(22-19(21-15)24-10-12-28-13-11-24)23-6-8-25(9-7-23)29(26,27)17-4-2-16(20)3-5-17/h2-5,14H,6-13H2,1H3
InChIKeyVDYUYEMIKAGHOV-UHFFFAOYSA-N
MW437.95 g/mol
LogP1.79
Rot. Bonds4

About 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine

4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine (PubChem CID 50947997) has the molecular formula C19H24ClN5O3S and a molecular weight of 437.95 g/mol. Its IUPAC name is 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
PubChem CID50947997
Molecular FormulaC19H24ClN5O3S
Molecular Weight437.95 g/mol
Exact Mass437.13
IUPAC Name4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24ClN5O3S/c1-15-14-18(22-19(21-15)24-10-12-28-13-11-24)23-6-8-25(9-7-23)29(26,27)17-4-2-16(20)3-5-17/h2-5,14H,6-13H2,1H3
InChIKeyVDYUYEMIKAGHOV-UHFFFAOYSA-N
XLogP1.79
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine (CID 50947997) is 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine is Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is VDYUYEMIKAGHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O3S/c1-15-14-18(22-19(21-15)24-10-12-28-13-11-24)23-6-8-25(9-7-23)29(26,27)17-4-2-16(20)3-5-17/h2-5,14H,6-13H2,1H3.
What are the key properties of 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine?
4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 437.95 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 50947997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).