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

C14H12Br2FNO2S — CID 61060274

IUPAC2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2FNO2S/c1-18(9-10-4-2-3-5-13(10)17)21(19,20)14-7-6-11(15)8-12(14)16/h2-8H,9H2,1H3
InChIKeyOZMMNATXVFMNDM-UHFFFAOYSA-N
MW437.13 g/mol
LogP4.17
Rot. Bonds4

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

2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 61060274) has the molecular formula C14H12Br2FNO2S and a molecular weight of 437.13 g/mol. Its IUPAC name is 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID61060274
Molecular FormulaC14H12Br2FNO2S
Molecular Weight437.13 g/mol
Exact Mass434.89
IUPAC Name2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2FNO2S/c1-18(9-10-4-2-3-5-13(10)17)21(19,20)14-7-6-11(15)8-12(14)16/h2-8H,9H2,1H3
InChIKeyOZMMNATXVFMNDM-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 61060274) is 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is OZMMNATXVFMNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO2S/c1-18(9-10-4-2-3-5-13(10)17)21(19,20)14-7-6-11(15)8-12(14)16/h2-8H,9H2,1H3.
What are the key properties of 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 437.13 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61060274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).