N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide

C15H14BrFN2O4S — CID 24656740

IUPACN-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1Br
InChIInChI=1S/C15H14BrFN2O4S/c1-9(20)18-14-7-10(3-5-13(14)17)19-24(21,22)11-4-6-15(23-2)12(16)8-11/h3-8,19H,1-2H3,(H,18,20)
InChIKeyRHLDBQXOSARRHH-UHFFFAOYSA-N
MW417.26 g/mol
LogP3.36
Rot. Bonds5

About N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide

N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide (PubChem CID 24656740) has the molecular formula C15H14BrFN2O4S and a molecular weight of 417.26 g/mol. Its IUPAC name is N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
PubChem CID24656740
Molecular FormulaC15H14BrFN2O4S
Molecular Weight417.26 g/mol
Exact Mass415.98
IUPAC NameN-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1Br
InChIInChI=1S/C15H14BrFN2O4S/c1-9(20)18-14-7-10(3-5-13(14)17)19-24(21,22)11-4-6-15(23-2)12(16)8-11/h3-8,19H,1-2H3,(H,18,20)
InChIKeyRHLDBQXOSARRHH-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 30668145
N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656762
N-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8501064
3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
CID 24656737
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
N-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 6460904
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide (CID 24656740) is N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1Br.
What is the InChIKey of N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
The InChIKey is RHLDBQXOSARRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O4S/c1-9(20)18-14-7-10(3-5-13(14)17)19-24(21,22)11-4-6-15(23-2)12(16)8-11/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide?
N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide has a molecular weight of 417.26 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 24656740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).