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

C14H14BrFN2O2S — CID 43256455

IUPAC4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccccc2F)c(Br)c1
InChIInChI=1S/C14H14BrFN2O2S/c15-12-9-11(17)5-6-14(12)21(19,20)18-8-7-10-3-1-2-4-13(10)16/h1-6,9,18H,7-8,17H2
InChIKeyTZOPRHUEZOZQGX-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.69
Rot. Bonds5

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

4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 43256455) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID43256455
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccccc2F)c(Br)c1
InChIInChI=1S/C14H14BrFN2O2S/c15-12-9-11(17)5-6-14(12)21(19,20)18-8-7-10-3-1-2-4-13(10)16/h1-6,9,18H,7-8,17H2
InChIKeyTZOPRHUEZOZQGX-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'}

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Related Compounds

2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300997
5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756333
4-amino-2-bromo-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479659
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
4-amino-2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]benzenesulfonamide
CID 61127182
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
4-amino-2-bromo-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238661
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
2-[(4-amino-2-bromophenyl)sulfonylamino]acetamide
CID 43255728

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 43256455) is 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2ccccc2F)c(Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is TZOPRHUEZOZQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c15-12-9-11(17)5-6-14(12)21(19,20)18-8-7-10-3-1-2-4-13(10)16/h1-6,9,18H,7-8,17H2.
What are the key properties of 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
4-amino-2-bromo-N-[2-(2-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 4-amino-2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 43256455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).