5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide

C20H16BrFN2O3S — CID 4104253

IUPAC5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C20H16BrFN2O3S/c21-17-8-4-5-9-19(17)24-20(25)16-12-15(10-11-18(16)22)28(26,27)23-13-14-6-2-1-3-7-14/h1-12,23H,13H2,(H,24,25)
InChIKeyYTONYMDDMMNLAG-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.32
Rot. Bonds6

About 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide

5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide (PubChem CID 4104253) has the molecular formula C20H16BrFN2O3S and a molecular weight of 463.33 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
PubChem CID4104253
Molecular FormulaC20H16BrFN2O3S
Molecular Weight463.33 g/mol
Exact Mass462.00
IUPAC Name5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C20H16BrFN2O3S/c21-17-8-4-5-9-19(17)24-20(25)16-12-15(10-11-18(16)22)28(26,27)23-13-14-6-2-1-3-7-14/h1-12,23H,13H2,(H,24,25)
InChIKeyYTONYMDDMMNLAG-UHFFFAOYSA-N
XLogP4.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
CID 1101750
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4169421
5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
CID 4094024
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4125899
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 15994437
5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-2-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4169422
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide (CID 4104253) is 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide is O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F.
What is the InChIKey of 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide?
The InChIKey is YTONYMDDMMNLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O3S/c21-17-8-4-5-9-19(17)24-20(25)16-12-15(10-11-18(16)22)28(26,27)23-13-14-6-2-1-3-7-14/h1-12,23H,13H2,(H,24,25).
What are the key properties of 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide?
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide has a molecular weight of 463.33 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide is sourced from PubChem (CID 4104253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).