N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide

C21H17FN2O4S — CID 71417364

IUPACN-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1F
InChIInChI=1S/C21H17FN2O4S/c1-14(25)23-20-12-11-16(13-18(20)22)29(27,28)24-19-10-6-5-9-17(19)21(26)15-7-3-2-4-8-15/h2-13,24H,1H3,(H,23,25)
InChIKeyFHFGMKIZXBQGFE-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.82
Rot. Bonds6

About N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide

N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide (PubChem CID 71417364) has the molecular formula C21H17FN2O4S and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide
PubChem CID71417364
Molecular FormulaC21H17FN2O4S
Molecular Weight412.44 g/mol
Exact Mass412.09
IUPAC NameN-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1F
InChIInChI=1S/C21H17FN2O4S/c1-14(25)23-20-12-11-16(13-18(20)22)29(27,28)24-19-10-6-5-9-17(19)21(26)15-7-3-2-4-8-15/h2-13,24H,1H3,(H,23,25)
InChIKeyFHFGMKIZXBQGFE-UHFFFAOYSA-N
XLogP3.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
CID 4223375
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide (CID 71417364) is N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1F.
What is the InChIKey of N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide?
The InChIKey is FHFGMKIZXBQGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4S/c1-14(25)23-20-12-11-16(13-18(20)22)29(27,28)24-19-10-6-5-9-17(19)21(26)15-7-3-2-4-8-15/h2-13,24H,1H3,(H,23,25).
What are the key properties of N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide?
N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide has a molecular weight of 412.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 71417364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).