N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide

C13H9BrF3NO2S — CID 3738219

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Br)c1)c1c(F)cccc1F
InChIInChI=1S/C13H9BrF3NO2S/c14-9-6-8(4-5-10(9)15)7-18-21(19,20)13-11(16)2-1-3-12(13)17/h1-6,18H,7H2
InChIKeyOPDGBPKLQMAMTA-UHFFFAOYSA-N
MW380.19 g/mol
LogP3.34
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide

N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide (PubChem CID 3738219) has the molecular formula C13H9BrF3NO2S and a molecular weight of 380.19 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide
PubChem CID3738219
Molecular FormulaC13H9BrF3NO2S
Molecular Weight380.19 g/mol
Exact Mass378.95
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Br)c1)c1c(F)cccc1F
InChIInChI=1S/C13H9BrF3NO2S/c14-9-6-8(4-5-10(9)15)7-18-21(19,20)13-11(16)2-1-3-12(13)17/h1-6,18H,7H2
InChIKeyOPDGBPKLQMAMTA-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3790083
N-[[4-(aminomethyl)phenyl]methyl]-2,6-difluorobenzenesulfonamide
CID 81093126
2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46595987
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
(3-bromo-4-fluorophenyl)methylurea
CID 131036089
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 60985509
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
N-[[3-(chloromethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 65032551
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905810

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide (CID 3738219) is N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide is O=S(=O)(NCc1ccc(F)c(Br)c1)c1c(F)cccc1F.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is OPDGBPKLQMAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO2S/c14-9-6-8(4-5-10(9)15)7-18-21(19,20)13-11(16)2-1-3-12(13)17/h1-6,18H,7H2.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide?
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 380.19 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 3738219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).