2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide

C9H8Br2N4O2S — CID 43539727

IUPAC2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H8Br2N4O2S/c10-5-1-7(11)9(8(12)2-5)18(16,17)15-6-3-13-14-4-6/h1-4,15H,12H2,(H,13,14)
InChIKeyONNHASPYYIDOGW-UHFFFAOYSA-N
MW396.06 g/mol
LogP2.32
Rot. Bonds3

About 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide

2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43539727) has the molecular formula C9H8Br2N4O2S and a molecular weight of 396.06 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43539727
Molecular FormulaC9H8Br2N4O2S
Molecular Weight396.06 g/mol
Exact Mass393.87
IUPAC Name2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H8Br2N4O2S/c10-5-1-7(11)9(8(12)2-5)18(16,17)15-6-3-13-14-4-6/h1-4,15H,12H2,(H,13,14)
InChIKeyONNHASPYYIDOGW-UHFFFAOYSA-N
XLogP2.32
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.06
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
2-amino-4,6-dibromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 61113465
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide
CID 116786187
2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616854
2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257975
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 64898474
4-amino-3-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540317
3,5-dichloro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532761

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43539727) is 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide is Nc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is ONNHASPYYIDOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N4O2S/c10-5-1-7(11)9(8(12)2-5)18(16,17)15-6-3-13-14-4-6/h1-4,15H,12H2,(H,13,14).
What are the key properties of 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 396.06 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43539727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).