2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide

C22H13Cl2F2N3O4S — CID 118522048

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1c(F)ccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2Cl)c1Cl
InChIInChI=1S/C22H13Cl2F2N3O4S/c23-14-10-12(25)5-8-18(14)33-22-13(9-11-3-1-2-4-16(11)29-22)21(30)28-17-7-6-15(26)20(19(17)24)34(27,31)32/h1-10H,(H,28,30)(H2,27,31,32)
InChIKeyZCWHXIPSVOEOOR-UHFFFAOYSA-N
MW524.33 g/mol
LogP5.51
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide

2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 118522048) has the molecular formula C22H13Cl2F2N3O4S and a molecular weight of 524.33 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID118522048
Molecular FormulaC22H13Cl2F2N3O4S
Molecular Weight524.33 g/mol
Exact Mass523.00
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1c(F)ccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2Cl)c1Cl
InChIInChI=1S/C22H13Cl2F2N3O4S/c23-14-10-12(25)5-8-18(14)33-22-13(9-11-3-1-2-4-16(11)29-22)21(30)28-17-7-6-15(26)20(19(17)24)34(27,31)32/h1-10H,(H,28,30)(H2,27,31,32)
InChIKeyZCWHXIPSVOEOOR-UHFFFAOYSA-N
XLogP5.51
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.33
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methyl-3-sulfamoylphenyl)quinoline-3-carboxamide
CID 118522054
3-(2-chloro-4-fluorophenoxy)-N-[3-chloro-4-(fluorosulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 118522061
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770
3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 172716708
2-bromo-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-5-fluorobenzamide
CID 112827772
3-(2-chloro-4-fluorophenoxy)-N-(3-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 170556611
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
CID 110299179
4-chloro-N-(4-fluoro-2-iodophenyl)-2-hydroxybenzamide
CID 79766720
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide (CID 118522048) is 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide is NS(=O)(=O)c1c(F)ccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2Cl)c1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is ZCWHXIPSVOEOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F2N3O4S/c23-14-10-12(25)5-8-18(14)33-22-13(9-11-3-1-2-4-16(11)29-22)21(30)28-17-7-6-15(26)20(19(17)24)34(27,31)32/h1-10H,(H,28,30)(H2,27,31,32).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide?
2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 524.33 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(2-chloro-4-fluoro-3-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 118522048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).