2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide

C19H18ClF2N3O4S — CID 146496059

IUPAC2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide
SMILESCC1(NS(=O)(=O)c2c(Cl)c(C(=O)Nc3ccc(F)c(F)c3)n3c2C=CCC3)COC1
InChIInChI=1S/C19H18ClF2N3O4S/c1-19(9-29-10-19)24-30(27,28)17-14-4-2-3-7-25(14)16(15(17)20)18(26)23-11-5-6-12(21)13(22)8-11/h2,4-6,8,24H,3,7,9-10H2,1H3,(H,23,26)
InChIKeyDBLOGLNYLNJUPI-UHFFFAOYSA-N
MW457.89 g/mol
LogP3.16
Rot. Bonds5

About 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide

2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide (PubChem CID 146496059) has the molecular formula C19H18ClF2N3O4S and a molecular weight of 457.89 g/mol. Its IUPAC name is 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide
PubChem CID146496059
Molecular FormulaC19H18ClF2N3O4S
Molecular Weight457.89 g/mol
Exact Mass457.07
IUPAC Name2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide
SMILESCC1(NS(=O)(=O)c2c(Cl)c(C(=O)Nc3ccc(F)c(F)c3)n3c2C=CCC3)COC1
InChIInChI=1S/C19H18ClF2N3O4S/c1-19(9-29-10-19)24-30(27,28)17-14-4-2-3-7-25(14)16(15(17)20)18(26)23-11-5-6-12(21)13(22)8-11/h2,4-6,8,24H,3,7,9-10H2,1H3,(H,23,26)
InChIKeyDBLOGLNYLNJUPI-UHFFFAOYSA-N
XLogP3.16
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.89
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 146496169
2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)amino]sulfanyl-5,6-dihydroindolizine-3-carboxamide
CID 146496060
2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-3-carboxamide
CID 146496196
2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-3-carboxamide
CID 146496096
2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5H-pyrrolizine-3-carboxamide
CID 146496435
N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]azepine-3-carboxamide
CID 146496202
N-(3-amino-4-fluorophenyl)-3-fluoro-1-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]pyrrole-2-carboxamide
CID 163458267
2-chloro-3-[(3,4-difluorophenyl)carbamoyl]-5,6,7,8-tetrahydroindolizine-1-sulfonic acid
CID 146496069
2-chloro-N-(2-cyano-6-fluoro-4-pyridinyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 146496660
2-chloro-3-[(3,4-difluorophenyl)carbamoyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-sulfonic acid
CID 146496341
N-(3-cyano-4-fluorophenyl)-2-methyl-1-(1,1,1-trifluoropropan-2-ylsulfamoyl)-5,6-dihydroindolizine-3-carboxamide
CID 155278812
N-(4-fluoro-3-methylphenyl)-5-methyl-4-[(3-methyloxetan-3-yl)sulfamoyl]thiophene-2-carboxamide
CID 121295225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide (CID 146496059) is 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide is CC1(NS(=O)(=O)c2c(Cl)c(C(=O)Nc3ccc(F)c(F)c3)n3c2C=CCC3)COC1.
What is the InChIKey of 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide?
The InChIKey is DBLOGLNYLNJUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O4S/c1-19(9-29-10-19)24-30(27,28)17-14-4-2-3-7-25(14)16(15(17)20)18(26)23-11-5-6-12(21)13(22)8-11/h2,4-6,8,24H,3,7,9-10H2,1H3,(H,23,26).
What are the key properties of 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide?
2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide has a molecular weight of 457.89 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-difluorophenyl)-1-[(3-methyloxetan-3-yl)sulfamoyl]-5,6-dihydroindolizine-3-carboxamide is sourced from PubChem (CID 146496059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).