2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide

C19H22ClFN2O4S — CID 2229490

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H22ClFN2O4S/c1-2-27-12-4-11-22-28(25,26)15-9-7-14(8-10-15)23-19(24)13-16-17(20)5-3-6-18(16)21/h3,5-10,22H,2,4,11-13H2,1H3,(H,23,24)
InChIKeyQBNISVODXBGGSZ-UHFFFAOYSA-N
MW428.91 g/mol
LogP3.37
Rot. Bonds10

About 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide (PubChem CID 2229490) has the molecular formula C19H22ClFN2O4S and a molecular weight of 428.91 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide
PubChem CID2229490
Molecular FormulaC19H22ClFN2O4S
Molecular Weight428.91 g/mol
Exact Mass428.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H22ClFN2O4S/c1-2-27-12-4-11-22-28(25,26)15-9-7-14(8-10-15)23-19(24)13-16-17(20)5-3-6-18(16)21/h3,5-10,22H,2,4,11-13H2,1H3,(H,23,24)
InChIKeyQBNISVODXBGGSZ-UHFFFAOYSA-N
XLogP3.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.91
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzeneacetamide, N-(4-(aminosulfonyl)-2-chlorophenyl)-
CID 3051968
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
2-(2-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 15945348
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(6-fluoro-1,4-oxazepan-4-yl)sulfonyl]benzamide
CID 118230086
2-(4-chlorophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 670087
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370
2-(4-chlorophenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]acetamide
CID 1164400
N-[4-(ethylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 1252163
2-chloro-4,5-difluoro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
CID 1253291
2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1362650
2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2085100
2-chloro-N-(4-{[(3-ethoxypropyl)amino]sulfonyl}phenyl)-4-nitrobenzamide
CID 2226377

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide (CID 2229490) is 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide is CCOCCCNS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide?
The InChIKey is QBNISVODXBGGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O4S/c1-2-27-12-4-11-22-28(25,26)15-9-7-14(8-10-15)23-19(24)13-16-17(20)5-3-6-18(16)21/h3,5-10,22H,2,4,11-13H2,1H3,(H,23,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide has a molecular weight of 428.91 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2229490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).