N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide

C14H14BrFN2O2S — CID 107603188

IUPACN-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-2-17-10-6-8-11(9-7-10)21(19,20)18-14-12(15)4-3-5-13(14)16/h3-9,17-18H,2H2,1H3
InChIKeyCNUHPCQGSJRILC-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.82
Rot. Bonds5

About N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide

N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide (PubChem CID 107603188) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide
PubChem CID107603188
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC NameN-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-2-17-10-6-8-11(9-7-10)21(19,20)18-14-12(15)4-3-5-13(14)16/h3-9,17-18H,2H2,1H3
InChIKeyCNUHPCQGSJRILC-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-6-fluorophenyl)-4-(ethylamino)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

N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 107630479
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106089648
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
3-amino-N-(2-bromo-6-fluorophenyl)-4-methoxybenzenesulfonamide
CID 107596407
4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide
CID 110316664
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide (CID 107603188) is N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2c(F)cccc2Br)cc1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is CNUHPCQGSJRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-2-17-10-6-8-11(9-7-10)21(19,20)18-14-12(15)4-3-5-13(14)16/h3-9,17-18H,2H2,1H3.
What are the key properties of N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide?
N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 107603188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).