N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide

C19H23BrFN3O3S — CID 24616557

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C19H23BrFN3O3S/c1-3-4-11-24(2)28(26,27)16-8-6-15(7-9-16)22-13-19(25)23-18-10-5-14(20)12-17(18)21/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeyVLYWYPIEPLODAQ-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.06
Rot. Bonds9

About N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide (PubChem CID 24616557) has the molecular formula C19H23BrFN3O3S and a molecular weight of 472.38 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide
PubChem CID24616557
Molecular FormulaC19H23BrFN3O3S
Molecular Weight472.38 g/mol
Exact Mass471.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C19H23BrFN3O3S/c1-3-4-11-24(2)28(26,27)16-8-6-15(7-9-16)22-13-19(25)23-18-10-5-14(20)12-17(18)21/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeyVLYWYPIEPLODAQ-UHFFFAOYSA-N
XLogP4.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide
CID 24616559
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide
CID 24616544
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24616609
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 42125792
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 7948733

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide (CID 24616557) is N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide is CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide?
The InChIKey is VLYWYPIEPLODAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFN3O3S/c1-3-4-11-24(2)28(26,27)16-8-6-15(7-9-16)22-13-19(25)23-18-10-5-14(20)12-17(18)21/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide has a molecular weight of 472.38 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide is sourced from PubChem (CID 24616557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).