2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide

C11H12BrFN4O2S — CID 106491419

IUPAC2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(Br)c(F)cc2N)cn1
InChIInChI=1S/C11H12BrFN4O2S/c1-2-17-6-7(5-15-17)16-20(18,19)11-3-8(12)9(13)4-10(11)14/h3-6,16H,2,14H2,1H3
InChIKeyZUTHZDWGTRZHNS-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide

2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 106491419) has the molecular formula C11H12BrFN4O2S and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
PubChem CID106491419
Molecular FormulaC11H12BrFN4O2S
Molecular Weight363.21 g/mol
Exact Mass361.98
IUPAC Name2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(Br)c(F)cc2N)cn1
InChIInChI=1S/C11H12BrFN4O2S/c1-2-17-6-7(5-15-17)16-20(18,19)11-3-8(12)9(13)4-10(11)14/h3-6,16H,2,14H2,1H3
InChIKeyZUTHZDWGTRZHNS-UHFFFAOYSA-N
XLogP2.19
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79896455
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 81396831
5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
ethyl 3-bromo-4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoate
CID 39836984
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43543231
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 106491675
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide (CID 106491419) is 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(Br)c(F)cc2N)cn1.
What is the InChIKey of 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is ZUTHZDWGTRZHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4O2S/c1-2-17-6-7(5-15-17)16-20(18,19)11-3-8(12)9(13)4-10(11)14/h3-6,16H,2,14H2,1H3.
What are the key properties of 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 363.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).