N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide

C14H12BrF2NO2S — CID 114296387

IUPACN-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCBr)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H12BrF2NO2S/c15-8-7-10-1-4-12(5-2-10)18-21(19,20)14-6-3-11(16)9-13(14)17/h1-6,9,18H,7-8H2
InChIKeyNWVFQBLRLYVKDX-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.70
Rot. Bonds5

About N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide

N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 114296387) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID114296387
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC NameN-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCBr)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H12BrF2NO2S/c15-8-7-10-1-4-12(5-2-10)18-21(19,20)14-6-3-11(16)9-13(14)17/h1-6,9,18H,7-8H2
InChIKeyNWVFQBLRLYVKDX-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.70
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

N-[4-(2-bromoethyl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114296416
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
N-[4-(2-bromoethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296385
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 61221276
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-sulfonamide
CID 114296376
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
2-bromo-N-[4-(2-bromoethyl)phenyl]benzenesulfonamide
CID 114296440
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide (CID 114296387) is N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(CCBr)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is NWVFQBLRLYVKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c15-8-7-10-1-4-12(5-2-10)18-21(19,20)14-6-3-11(16)9-13(14)17/h1-6,9,18H,7-8H2.
What are the key properties of N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide?
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 114296387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).