2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide

C21H19ClFN3O4S — CID 164596523

IUPAC2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
SMILESCC(Oc1ccc(F)nc1)c1ccc(NC(=O)Cc2ccccc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C21H19ClFN3O4S/c1-13(30-16-7-9-20(23)25-12-16)17-8-6-15(11-19(17)31(24,28)29)26-21(27)10-14-4-2-3-5-18(14)22/h2-9,11-13H,10H2,1H3,(H,26,27)(H2,24,28,29)
InChIKeyARPYXQVQTQDDRU-UHFFFAOYSA-N
MW463.92 g/mol
LogP3.84
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide (PubChem CID 164596523) has the molecular formula C21H19ClFN3O4S and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
PubChem CID164596523
Molecular FormulaC21H19ClFN3O4S
Molecular Weight463.92 g/mol
Exact Mass463.08
IUPAC Name2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
SMILESCC(Oc1ccc(F)nc1)c1ccc(NC(=O)Cc2ccccc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C21H19ClFN3O4S/c1-13(30-16-7-9-20(23)25-12-16)17-8-6-15(11-19(17)31(24,28)29)26-21(27)10-14-4-2-3-5-18(14)22/h2-9,11-13H,10H2,1H3,(H,26,27)(H2,24,28,29)
InChIKeyARPYXQVQTQDDRU-UHFFFAOYSA-N
XLogP3.84
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596481
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
CID 164596527
N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chlorophenyl)acetamide
CID 167200135
2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 161277840
2-(2-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7941085

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide (CID 164596523) is 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide is CC(Oc1ccc(F)nc1)c1ccc(NC(=O)Cc2ccccc2Cl)cc1S(N)(=O)=O.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide?
The InChIKey is ARPYXQVQTQDDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O4S/c1-13(30-16-7-9-20(23)25-12-16)17-8-6-15(11-19(17)31(24,28)29)26-21(27)10-14-4-2-3-5-18(14)22/h2-9,11-13H,10H2,1H3,(H,26,27)(H2,24,28,29).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide has a molecular weight of 463.92 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 164596523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).