2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide

C22H22ClFN2O5S — CID 55471264

IUPAC2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOCc2ccco2)c1
InChIInChI=1S/C22H22ClFN2O5S/c1-26(17-7-5-16(24)6-8-17)32(28,29)19-9-10-21(23)20(14-19)22(27)25-11-3-12-30-15-18-4-2-13-31-18/h2,4-10,13-14H,3,11-12,15H2,1H3,(H,25,27)
InChIKeyVJXMXQUAZQZANI-UHFFFAOYSA-N
MW480.95 g/mol
LogP4.23
Rot. Bonds10

About 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide (PubChem CID 55471264) has the molecular formula C22H22ClFN2O5S and a molecular weight of 480.95 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
PubChem CID55471264
Molecular FormulaC22H22ClFN2O5S
Molecular Weight480.95 g/mol
Exact Mass480.09
IUPAC Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOCc2ccco2)c1
InChIInChI=1S/C22H22ClFN2O5S/c1-26(17-7-5-16(24)6-8-17)32(28,29)19-9-10-21(23)20(14-19)22(27)25-11-3-12-30-15-18-4-2-13-31-18/h2,4-10,13-14H,3,11-12,15H2,1H3,(H,25,27)
InChIKeyVJXMXQUAZQZANI-UHFFFAOYSA-N
XLogP4.23
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78816525
2-chloro-5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)ethyl]benzamide
CID 8916939
2-chloro-N-[2-(cyclohexanecarbonylamino)ethyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55805861
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 34315456
2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55478702
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide (CID 55471264) is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCOCc2ccco2)c1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The InChIKey is VJXMXQUAZQZANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O5S/c1-26(17-7-5-16(24)6-8-17)32(28,29)19-9-10-21(23)20(14-19)22(27)25-11-3-12-30-15-18-4-2-13-31-18/h2,4-10,13-14H,3,11-12,15H2,1H3,(H,25,27).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide has a molecular weight of 480.95 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 55471264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).