2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C13H10Br2FNO2S — CID 42628501

IUPAC2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H10Br2FNO2S/c14-10-3-6-13(12(15)7-10)20(18,19)17-8-9-1-4-11(16)5-2-9/h1-7,17H,8H2
InChIKeyHMYFVZPCZLTJFD-UHFFFAOYSA-N
MW423.10 g/mol
LogP3.83
Rot. Bonds4

About 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide

2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 42628501) has the molecular formula C13H10Br2FNO2S and a molecular weight of 423.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID42628501
Molecular FormulaC13H10Br2FNO2S
Molecular Weight423.10 g/mol
Exact Mass420.88
IUPAC Name2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H10Br2FNO2S/c14-10-3-6-13(12(15)7-10)20(18,19)17-8-9-1-4-11(16)5-2-9/h1-7,17H,8H2
InChIKeyHMYFVZPCZLTJFD-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.10
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-phenylpropyl)benzenesulfonamide
CID 2165962
4-bromo-N-(2-phenylethyl)benzenesulfonamide
CID 795722
2-bromo-N-phenethylbenzenesulfonamide
CID 3740348
N-benzyl-4-bromo-2-methylbenzenesulfonamide
CID 760027
2-Bromo-N-(4-fluorobenzyl)benzenesulfonamide
CID 4825019
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-4-fluoro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 44601977
N-benzyl-2-bromobenzenesulfonamide
CID 7938012
N-Benzyl-4-bromobenzenesulfonamide
CID 571651
N-benzyl-2,5-dibromobenzenesulfonamide
CID 7749529
N-benzyl-2-bromo-4-fluorobenzenesulfonamide
CID 16060325
4-bromo-N-(1-phenylethyl)benzenesulfonamide
CID 2841713

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 42628501) is 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is HMYFVZPCZLTJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO2S/c14-10-3-6-13(12(15)7-10)20(18,19)17-8-9-1-4-11(16)5-2-9/h1-7,17H,8H2.
What are the key properties of 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 423.10 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42628501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).