2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide

C11H13BrN4O2S — CID 43543211

IUPAC2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(Br)cc2N)cn1
InChIInChI=1S/C11H13BrN4O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-4-3-8(12)5-10(11)13/h3-7,15H,2,13H2,1H3
InChIKeyVULDGIKRACXNHS-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.05
Rot. Bonds4

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

2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 43543211) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
PubChem CID43543211
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(Br)cc2N)cn1
InChIInChI=1S/C11H13BrN4O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-4-3-8(12)5-10(11)13/h3-7,15H,2,13H2,1H3
InChIKeyVULDGIKRACXNHS-UHFFFAOYSA-N
XLogP2.05
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.05
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-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491419
5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 81396831
ethyl 3-bromo-4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoate
CID 39836984
5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79896455
3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43543231
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
3-amino-N-(1-ethylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60808956
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide (CID 43543211) is 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(Br)cc2N)cn1.
What is the InChIKey of 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is VULDGIKRACXNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-4-3-8(12)5-10(11)13/h3-7,15H,2,13H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide?
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43543211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).