2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide

C19H14BrFN2O3S — CID 1010684

IUPAC2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1Br
InChIInChI=1S/C19H14BrFN2O3S/c20-18-4-2-1-3-17(18)19(24)22-14-9-11-16(12-10-14)27(25,26)23-15-7-5-13(21)6-8-15/h1-12,23H,(H,22,24)
InChIKeyYXMZSFTWMYLVJK-UHFFFAOYSA-N
MW449.30 g/mol
LogP4.64
Rot. Bonds5

About 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide

2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide (PubChem CID 1010684) has the molecular formula C19H14BrFN2O3S and a molecular weight of 449.30 g/mol. Its IUPAC name is 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
PubChem CID1010684
Molecular FormulaC19H14BrFN2O3S
Molecular Weight449.30 g/mol
Exact Mass447.99
IUPAC Name2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1Br
InChIInChI=1S/C19H14BrFN2O3S/c20-18-4-2-1-3-17(18)19(24)22-14-9-11-16(12-10-14)27(25,26)23-15-7-5-13(21)6-8-15/h1-12,23H,(H,22,24)
InChIKeyYXMZSFTWMYLVJK-UHFFFAOYSA-N
XLogP4.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.30
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 8503434
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164615573
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188165
2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
CID 2162853
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide (CID 1010684) is 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is YXMZSFTWMYLVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN2O3S/c20-18-4-2-1-3-17(18)19(24)22-14-9-11-16(12-10-14)27(25,26)23-15-7-5-13(21)6-8-15/h1-12,23H,(H,22,24).
What are the key properties of 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide?
2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 449.30 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1010684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).