4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide

C14H12BrF2NO2S — CID 61067105

IUPAC4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H12BrF2NO2S/c1-9(14-12(16)3-2-4-13(14)17)18-21(19,20)11-7-5-10(15)6-8-11/h2-9,18H,1H3
InChIKeyBMOUQCBDBWCIPC-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.77
Rot. Bonds4

About 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide

4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide (PubChem CID 61067105) has the molecular formula C14H12BrF2NO2S and a molecular weight of 376.22 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide
PubChem CID61067105
Molecular FormulaC14H12BrF2NO2S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H12BrF2NO2S/c1-9(14-12(16)3-2-4-13(14)17)18-21(19,20)11-7-5-10(15)6-8-11/h2-9,18H,1H3
InChIKeyBMOUQCBDBWCIPC-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide 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

4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
2-[(4-bromophenyl)sulfonylamino]-N-(2,6-difluorophenyl)propanamide
CID 3652587
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 103354519
4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 35403599
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide (CID 61067105) is 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)cc1)c1c(F)cccc1F.
What is the InChIKey of 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is BMOUQCBDBWCIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2S/c1-9(14-12(16)3-2-4-13(14)17)18-21(19,20)11-7-5-10(15)6-8-11/h2-9,18H,1H3.
What are the key properties of 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide?
4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 376.22 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61067105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).