2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide

C11H11Br2N3O2S — CID 112699522

IUPAC2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C11H11Br2N3O2S/c1-6-7(2)14-15-11(6)16-19(17,18)10-5-8(12)3-4-9(10)13/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyBQRJXPGJRUUMIJ-UHFFFAOYSA-N
MW409.10 g/mol
LogP3.35
Rot. Bonds3

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

2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 112699522) has the molecular formula C11H11Br2N3O2S and a molecular weight of 409.10 g/mol. Its IUPAC name is 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID112699522
Molecular FormulaC11H11Br2N3O2S
Molecular Weight409.10 g/mol
Exact Mass406.89
IUPAC Name2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C11H11Br2N3O2S/c1-6-7(2)14-15-11(6)16-19(17,18)10-5-8(12)3-4-9(10)13/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyBQRJXPGJRUUMIJ-UHFFFAOYSA-N
XLogP3.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.10
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617559
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 100668364
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-dimethylbenzenesulfonamide
CID 104617090
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 115750918
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 115750900
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104617067
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389114
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115916977

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 112699522) is 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1[nH]nc(NS(=O)(=O)c2cc(Br)ccc2Br)c1C.
What is the InChIKey of 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is BQRJXPGJRUUMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O2S/c1-6-7(2)14-15-11(6)16-19(17,18)10-5-8(12)3-4-9(10)13/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide?
2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 409.10 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 112699522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).