4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine

C24H24N4O3S — CID 58137164

IUPAC4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine
SMILESCn1ccc2cc(-c3nc(CS(=O)(=O)c4ccccc4)cc(N4CCOCC4)n3)ccc21
InChIInChI=1S/C24H24N4O3S/c1-27-10-9-18-15-19(7-8-22(18)27)24-25-20(16-23(26-24)28-11-13-31-14-12-28)17-32(29,30)21-5-3-2-4-6-21/h2-10,15-16H,11-14,17H2,1H3
InChIKeyBXDVOFVXNUQQTK-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.45
Rot. Bonds5

About 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine

4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine (PubChem CID 58137164) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine
PubChem CID58137164
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine
SMILESCn1ccc2cc(-c3nc(CS(=O)(=O)c4ccccc4)cc(N4CCOCC4)n3)ccc21
InChIInChI=1S/C24H24N4O3S/c1-27-10-9-18-15-19(7-8-22(18)27)24-25-20(16-23(26-24)28-11-13-31-14-12-28)17-32(29,30)21-5-3-2-4-6-21/h2-10,15-16H,11-14,17H2,1H3
InChIKeyBXDVOFVXNUQQTK-UHFFFAOYSA-N
XLogP3.45
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine (CID 58137164) is 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine is Cn1ccc2cc(-c3nc(CS(=O)(=O)c4ccccc4)cc(N4CCOCC4)n3)ccc21.
What is the InChIKey of 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine?
The InChIKey is BXDVOFVXNUQQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-27-10-9-18-15-19(7-8-22(18)27)24-25-20(16-23(26-24)28-11-13-31-14-12-28)17-32(29,30)21-5-3-2-4-6-21/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine?
4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine has a molecular weight of 448.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).