5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide

C11H12BrFN4O2S — CID 104616753

IUPAC5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(N)cc(Br)c2F)n[nH]1
InChIInChI=1S/C11H12BrFN4O2S/c1-2-7-5-10(16-15-7)17-20(18,19)9-4-6(14)3-8(12)11(9)13/h3-5H,2,14H2,1H3,(H2,15,16,17)
InChIKeyRERVFGSYBIKCKM-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.26
Rot. Bonds4

About 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide

5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 104616753) has the molecular formula C11H12BrFN4O2S and a molecular weight of 363.21 g/mol. Its IUPAC name is 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
PubChem CID104616753
Molecular FormulaC11H12BrFN4O2S
Molecular Weight363.21 g/mol
Exact Mass361.98
IUPAC Name5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(N)cc(Br)c2F)n[nH]1
InChIInChI=1S/C11H12BrFN4O2S/c1-2-7-5-10(16-15-7)17-20(18,19)9-4-6(14)3-8(12)11(9)13/h3-5H,2,14H2,1H3,(H2,15,16,17)
InChIKeyRERVFGSYBIKCKM-UHFFFAOYSA-N
XLogP2.26
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide (CID 104616753) is 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide is CCc1cc(NS(=O)(=O)c2cc(N)cc(Br)c2F)n[nH]1.
What is the InChIKey of 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is RERVFGSYBIKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4O2S/c1-2-7-5-10(16-15-7)17-20(18,19)9-4-6(14)3-8(12)11(9)13/h3-5H,2,14H2,1H3,(H2,15,16,17).
What are the key properties of 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide?
5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 363.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 104616753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).