5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide

C14H14BrFN2O2S — CID 65202093

IUPAC5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C14H14BrFN2O2S/c15-13-6-5-12(17)9-14(13)21(19,20)18-8-7-10-1-3-11(16)4-2-10/h1-6,9,18H,7-8,17H2
InChIKeyKZWMVHHFARJDDM-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.69
Rot. Bonds5

About 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide

5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 65202093) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID65202093
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C14H14BrFN2O2S/c15-13-6-5-12(17)9-14(13)21(19,20)18-8-7-10-1-3-11(16)4-2-10/h1-6,9,18H,7-8,17H2
InChIKeyKZWMVHHFARJDDM-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-[2-(4-fluorophenyl)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

5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 65206505
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 35523293
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333529
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 162727328

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (CID 65202093) is 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is KZWMVHHFARJDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c15-13-6-5-12(17)9-14(13)21(19,20)18-8-7-10-1-3-11(16)4-2-10/h1-6,9,18H,7-8,17H2.
What are the key properties of 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 65202093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).