4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide

C14H12BrF2NO2S — CID 110316664

IUPAC4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1ccc(CCBr)cc1
InChIInChI=1S/C14H12BrF2NO2S/c15-9-8-10-4-6-11(7-5-10)21(19,20)18-14-12(16)2-1-3-13(14)17/h1-7,18H,8-9H2
InChIKeyLPBHTQCDLWBGNJ-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.70
Rot. Bonds5

About 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide

4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide (PubChem CID 110316664) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide
PubChem CID110316664
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1ccc(CCBr)cc1
InChIInChI=1S/C14H12BrF2NO2S/c15-9-8-10-4-6-11(7-5-10)21(19,20)18-14-12(16)2-1-3-13(14)17/h1-7,18H,8-9H2
InChIKeyLPBHTQCDLWBGNJ-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-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110428842
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871
N-[4-(2-bromoethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296385
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide
CID 107603188
N-(2-amino-6-fluorophenyl)-4-chlorobenzenesulfonamide
CID 81311013
N-(2,6-difluorophenyl)ethanesulfonamide
CID 60642898
N-(2,3-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 61076846
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide (CID 110316664) is 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1c(F)cccc1F)c1ccc(CCBr)cc1.
What is the InChIKey of 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide?
The InChIKey is LPBHTQCDLWBGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c15-9-8-10-4-6-11(7-5-10)21(19,20)18-14-12(16)2-1-3-13(14)17/h1-7,18H,8-9H2.
What are the key properties of 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide?
4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide 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 4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 110316664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).