2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide

C20H16ClF2N3O4S — CID 164596481

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1COc1ccc(F)nc1
InChIInChI=1S/C20H16ClF2N3O4S/c21-16-2-1-3-17(22)15(16)9-20(27)26-13-5-4-12(18(8-13)31(24,28)29)11-30-14-6-7-19(23)25-10-14/h1-8,10H,9,11H2,(H,26,27)(H2,24,28,29)
InChIKeyQRFDFTICEGPJDW-UHFFFAOYSA-N
MW467.88 g/mol
LogP3.42
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide (PubChem CID 164596481) has the molecular formula C20H16ClF2N3O4S and a molecular weight of 467.88 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
PubChem CID164596481
Molecular FormulaC20H16ClF2N3O4S
Molecular Weight467.88 g/mol
Exact Mass467.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1COc1ccc(F)nc1
InChIInChI=1S/C20H16ClF2N3O4S/c21-16-2-1-3-17(22)15(16)9-20(27)26-13-5-4-12(18(8-13)31(24,28)29)11-30-14-6-7-19(23)25-10-14/h1-8,10H,9,11H2,(H,26,27)(H2,24,28,29)
InChIKeyQRFDFTICEGPJDW-UHFFFAOYSA-N
XLogP3.42
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 53.42
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-[(5-fluoro-2-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596477
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
CID 164596527
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
CID 164596523
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(4-phenoxyphenyl)acetamide
CID 7914940
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
2-(2-chloro-6-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7925070
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide (CID 164596481) is 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1COc1ccc(F)nc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide?
The InChIKey is QRFDFTICEGPJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O4S/c21-16-2-1-3-17(22)15(16)9-20(27)26-13-5-4-12(18(8-13)31(24,28)29)11-30-14-6-7-19(23)25-10-14/h1-8,10H,9,11H2,(H,26,27)(H2,24,28,29).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide has a molecular weight of 467.88 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 164596481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).