3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide

C11H13BrN4O2S — CID 102803496

IUPAC3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C11H13BrN4O2S/c1-7-11(6-16(2)14-7)15-19(17,18)8-3-4-9(12)10(13)5-8/h3-6,15H,13H2,1-2H3
InChIKeyFGEHEMZQWQDMLI-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide

3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 102803496) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID102803496
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C11H13BrN4O2S/c1-7-11(6-16(2)14-7)15-19(17,18)8-3-4-9(12)10(13)5-8/h3-6,15H,13H2,1-2H3
InChIKeyFGEHEMZQWQDMLI-UHFFFAOYSA-N
XLogP1.87
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.87
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

4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
5-amino-2-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803498
5-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 102803478
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
4-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920416
3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
CID 102803689
N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422470
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide (CID 102803496) is 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is FGEHEMZQWQDMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-7-11(6-16(2)14-7)15-19(17,18)8-3-4-9(12)10(13)5-8/h3-6,15H,13H2,1-2H3.
What are the key properties of 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide?
3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 345.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 102803496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).