N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide

C21H20FN3O5S2 — CID 26950174

IUPACN-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C21H20FN3O5S2/c1-14-7-8-17(13-21(14)32(29,30)25-20-6-4-3-5-19(20)22)24-31(27,28)18-11-9-16(10-12-18)23-15(2)26/h3-13,24-25H,1-2H3,(H,23,26)
InChIKeyQYMPDBMUEPDHHC-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.69
Rot. Bonds7

About N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide (PubChem CID 26950174) has the molecular formula C21H20FN3O5S2 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
PubChem CID26950174
Molecular FormulaC21H20FN3O5S2
Molecular Weight477.54 g/mol
Exact Mass477.08
IUPAC NameN-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C21H20FN3O5S2/c1-14-7-8-17(13-21(14)32(29,30)25-20-6-4-3-5-19(20)22)24-31(27,28)18-11-9-16(10-12-18)23-15(2)26/h3-13,24-25H,1-2H3,(H,23,26)
InChIKeyQYMPDBMUEPDHHC-UHFFFAOYSA-N
XLogP3.69
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 31474763
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24648339
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride
CID 16782218
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
CID 26950186
methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate
CID 24510134

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide (CID 26950174) is N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)cc1.
What is the InChIKey of N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is QYMPDBMUEPDHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O5S2/c1-14-7-8-17(13-21(14)32(29,30)25-20-6-4-3-5-19(20)22)24-31(27,28)18-11-9-16(10-12-18)23-15(2)26/h3-13,24-25H,1-2H3,(H,23,26).
What are the key properties of N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 477.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 26950174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).