N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide

C22H20F2N2O4S — CID 122623510

IUPACN-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2n(c1=O)CCC2
InChIInChI=1S/C22H20F2N2O4S/c1-13-10-16(19-4-3-9-26(19)22(13)27)17-12-15(25-31(2,28)29)6-8-20(17)30-21-7-5-14(23)11-18(21)24/h5-8,10-12,25H,3-4,9H2,1-2H3
InChIKeyPIUCATJBZCAYGQ-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.21
Rot. Bonds5

About N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide (PubChem CID 122623510) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide
PubChem CID122623510
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2n(c1=O)CCC2
InChIInChI=1S/C22H20F2N2O4S/c1-13-10-16(19-4-3-9-26(19)22(13)27)17-12-15(25-31(2,28)29)6-8-20(17)30-21-7-5-14(23)11-18(21)24/h5-8,10-12,25H,3-4,9H2,1-2H3
InChIKeyPIUCATJBZCAYGQ-UHFFFAOYSA-N
XLogP4.21
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide (CID 122623510) is N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2n(c1=O)CCC2.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide?
The InChIKey is PIUCATJBZCAYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c1-13-10-16(19-4-3-9-26(19)22(13)27)17-12-15(25-31(2,28)29)6-8-20(17)30-21-7-5-14(23)11-18(21)24/h5-8,10-12,25H,3-4,9H2,1-2H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide has a molecular weight of 446.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 122623510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).