N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide

C14H12BrF2NO2S — CID 114294218

IUPACN-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESCC(Br)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H12BrF2NO2S/c1-9(15)11-4-2-3-5-13(11)18-21(19,20)14-8-10(16)6-7-12(14)17/h2-9,18H,1H3
InChIKeyZTFXBZMGAKNMPQ-UHFFFAOYSA-N
MW376.22 g/mol
LogP4.22
Rot. Bonds4

About N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide

N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 114294218) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide
PubChem CID114294218
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESCC(Br)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H12BrF2NO2S/c1-9(15)11-4-2-3-5-13(11)18-21(19,20)14-8-10(16)6-7-12(14)17/h2-9,18H,1H3
InChIKeyZTFXBZMGAKNMPQ-UHFFFAOYSA-N
XLogP4.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 29099021
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide (CID 114294218) is N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide is CC(Br)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is ZTFXBZMGAKNMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c1-9(15)11-4-2-3-5-13(11)18-21(19,20)14-8-10(16)6-7-12(14)17/h2-9,18H,1H3.
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide?
N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 114294218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).