[2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate

C20H15FN4O4S — CID 71134196

IUPAC[2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate
SMILESCS(=O)(=O)c1ccc2c(ccn2NC(=O)Oc2cnc(-c3cccc(F)c3)nc2)c1
InChIInChI=1S/C20H15FN4O4S/c1-30(27,28)17-5-6-18-13(10-17)7-8-25(18)24-20(26)29-16-11-22-19(23-12-16)14-3-2-4-15(21)9-14/h2-12H,1H3,(H,24,26)
InChIKeyKJISHEBTJFVDRL-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.38
Rot. Bonds4

About [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate

[2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate (PubChem CID 71134196) has the molecular formula C20H15FN4O4S and a molecular weight of 426.43 g/mol. Its IUPAC name is [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate
PubChem CID71134196
Molecular FormulaC20H15FN4O4S
Molecular Weight426.43 g/mol
Exact Mass426.08
IUPAC Name[2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate
SMILESCS(=O)(=O)c1ccc2c(ccn2NC(=O)Oc2cnc(-c3cccc(F)c3)nc2)c1
InChIInChI=1S/C20H15FN4O4S/c1-30(27,28)17-5-6-18-13(10-17)7-8-25(18)24-20(26)29-16-11-22-19(23-12-16)14-3-2-4-15(21)9-14/h2-12H,1H3,(H,24,26)
InChIKeyKJISHEBTJFVDRL-UHFFFAOYSA-N
XLogP3.38
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate?
The IUPAC name of [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate (CID 71134196) is [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate.
What is the SMILES notation for [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate?
The canonical SMILES for [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate is CS(=O)(=O)c1ccc2c(ccn2NC(=O)Oc2cnc(-c3cccc(F)c3)nc2)c1.
What is the InChIKey of [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate?
The InChIKey is KJISHEBTJFVDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S/c1-30(27,28)17-5-6-18-13(10-17)7-8-25(18)24-20(26)29-16-11-22-19(23-12-16)14-3-2-4-15(21)9-14/h2-12H,1H3,(H,24,26).
What are the key properties of [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate?
[2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate has a molecular weight of 426.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate is sourced from PubChem (CID 71134196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).