N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide

C19H20FIN2O3S — CID 58380567

IUPACN-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
SMILESCc1c(Cc2ccc(I)cc2F)c(NS(=O)(=O)C2CC2)c2n(c1=O)CCC2
InChIInChI=1S/C19H20FIN2O3S/c1-11-15(9-12-4-5-13(21)10-16(12)20)18(22-27(25,26)14-6-7-14)17-3-2-8-23(17)19(11)24/h4-5,10,14,22H,2-3,6-9H2,1H3
InChIKeyDREHOZZLWNSOHQ-UHFFFAOYSA-N
MW502.35 g/mol
LogP3.34
Rot. Bonds5

About N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide

N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide (PubChem CID 58380567) has the molecular formula C19H20FIN2O3S and a molecular weight of 502.35 g/mol. Its IUPAC name is N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
PubChem CID58380567
Molecular FormulaC19H20FIN2O3S
Molecular Weight502.35 g/mol
Exact Mass502.02
IUPAC NameN-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide
SMILESCc1c(Cc2ccc(I)cc2F)c(NS(=O)(=O)C2CC2)c2n(c1=O)CCC2
InChIInChI=1S/C19H20FIN2O3S/c1-11-15(9-12-4-5-13(21)10-16(12)20)18(22-27(25,26)14-6-7-14)17-3-2-8-23(17)19(11)24/h4-5,10,14,22H,2-3,6-9H2,1H3
InChIKeyDREHOZZLWNSOHQ-UHFFFAOYSA-N
XLogP3.34
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide?
The IUPAC name of N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide (CID 58380567) is N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide is Cc1c(Cc2ccc(I)cc2F)c(NS(=O)(=O)C2CC2)c2n(c1=O)CCC2.
What is the InChIKey of N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide?
The InChIKey is DREHOZZLWNSOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FIN2O3S/c1-11-15(9-12-4-5-13(21)10-16(12)20)18(22-27(25,26)14-6-7-14)17-3-2-8-23(17)19(11)24/h4-5,10,14,22H,2-3,6-9H2,1H3.
What are the key properties of N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide?
N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide has a molecular weight of 502.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2-fluoro-4-iodophenyl)methyl]-6-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl]cyclopropanesulfonamide is sourced from PubChem (CID 58380567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).