5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide

C14H14BrFN2O2S — CID 116529396

IUPAC5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(N)c(Br)cc2F)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-2-9-3-5-10(6-4-9)18-21(19,20)14-8-13(17)11(15)7-12(14)16/h3-8,18H,2,17H2,1H3
InChIKeyRFNLLGVYFRVFCS-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.53
Rot. Bonds4

About 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide

5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 116529396) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
PubChem CID116529396
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(N)c(Br)cc2F)cc1
InChIInChI=1S/C14H14BrFN2O2S/c1-2-9-3-5-10(6-4-9)18-21(19,20)14-8-13(17)11(15)7-12(14)16/h3-8,18H,2,17H2,1H3
InChIKeyRFNLLGVYFRVFCS-UHFFFAOYSA-N
XLogP3.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.53
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

5-amino-4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 116529549
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2809184
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
5-amino-4-bromo-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 116530284
5-amino-4-bromo-N-(3-bromo-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 116530437
5-amino-4-bromo-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812605
5-amino-N-(3-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104775506

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide (CID 116529396) is 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide is CCc1ccc(NS(=O)(=O)c2cc(N)c(Br)cc2F)cc1.
What is the InChIKey of 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is RFNLLGVYFRVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-2-9-3-5-10(6-4-9)18-21(19,20)14-8-13(17)11(15)7-12(14)16/h3-8,18H,2,17H2,1H3.
What are the key properties of 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide?
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116529396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).