2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide

C21H20FN3O6S2 — CID 28562504

IUPAC2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H20FN3O6S2/c22-16-3-5-17(6-4-16)25-33(29,30)20-11-7-18(8-12-20)31-14-21(26)24-13-15-1-9-19(10-2-15)32(23,27)28/h1-12,25H,13-14H2,(H,24,26)(H2,23,27,28)
InChIKeyFUXJAOXFRJAKKX-UHFFFAOYSA-N
MW493.54 g/mol
LogP1.97
Rot. Bonds9

About 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 28562504) has the molecular formula C21H20FN3O6S2 and a molecular weight of 493.54 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID28562504
Molecular FormulaC21H20FN3O6S2
Molecular Weight493.54 g/mol
Exact Mass493.08
IUPAC Name2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H20FN3O6S2/c22-16-3-5-17(6-4-16)25-33(29,30)20-11-7-18(8-12-20)31-14-21(26)24-13-15-1-9-19(10-2-15)32(23,27)28/h1-12,25H,13-14H2,(H,24,26)(H2,23,27,28)
InChIKeyFUXJAOXFRJAKKX-UHFFFAOYSA-N
XLogP1.97
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553452
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(4-iodophenyl)acetamide
CID 126396397
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3887090
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875042
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875034
2-[4-(phenylsulfamoyl)phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875012
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 28562504) is 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is FUXJAOXFRJAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O6S2/c22-16-3-5-17(6-4-16)25-33(29,30)20-11-7-18(8-12-20)31-14-21(26)24-13-15-1-9-19(10-2-15)32(23,27)28/h1-12,25H,13-14H2,(H,24,26)(H2,23,27,28).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 493.54 g/mol, XLogP of 1.97, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 28562504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).