2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

C12H14Br2N4O2S — CID 104616854

IUPAC2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2c(N)cc(Br)cc2Br)n[nH]1
InChIInChI=1S/C12H14Br2N4O2S/c1-2-3-8-6-11(17-16-8)18-21(19,20)12-9(14)4-7(13)5-10(12)15/h4-6H,2-3,15H2,1H3,(H2,16,17,18)
InChIKeyPQDVOJLRVIAAGE-UHFFFAOYSA-N
MW438.15 g/mol
LogP3.27
Rot. Bonds5

About 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide

2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 104616854) has the molecular formula C12H14Br2N4O2S and a molecular weight of 438.15 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID104616854
Molecular FormulaC12H14Br2N4O2S
Molecular Weight438.15 g/mol
Exact Mass435.92
IUPAC Name2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2c(N)cc(Br)cc2Br)n[nH]1
InChIInChI=1S/C12H14Br2N4O2S/c1-2-3-8-6-11(17-16-8)18-21(19,20)12-9(14)4-7(13)5-10(12)15/h4-6H,2-3,15H2,1H3,(H2,16,17,18)
InChIKeyPQDVOJLRVIAAGE-UHFFFAOYSA-N
XLogP3.27
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.15
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43556037
2-bromo-4,6-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260985
2-amino-6-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63820059
2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63821526
5-amino-3-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 65517945
5-amino-2-bromo-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 65650137
2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 71845770
4-bromo-2,5-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 75437126
4-bromo-3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 103761318
4-bromo-3-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 103768138
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
CID 104616732
5-amino-3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616753

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 104616854) is 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is CCCc1cc(NS(=O)(=O)c2c(N)cc(Br)cc2Br)n[nH]1.
What is the InChIKey of 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is PQDVOJLRVIAAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4O2S/c1-2-3-8-6-11(17-16-8)18-21(19,20)12-9(14)4-7(13)5-10(12)15/h4-6H,2-3,15H2,1H3,(H2,16,17,18).
What are the key properties of 2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 438.15 g/mol, XLogP of 3.27, 5 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-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 104616854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).