2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide

C12H13Br2N3O2S — CID 104620958

IUPAC2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C12H13Br2N3O2S/c1-3-8-6-15-16-12(8)17-20(18,19)11-5-9(13)7(2)4-10(11)14/h4-6H,3H2,1-2H3,(H2,15,16,17)
InChIKeySODXORYHEWHLJP-UHFFFAOYSA-N
MW423.13 g/mol
LogP3.61
Rot. Bonds4

About 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 104620958) has the molecular formula C12H13Br2N3O2S and a molecular weight of 423.13 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
PubChem CID104620958
Molecular FormulaC12H13Br2N3O2S
Molecular Weight423.13 g/mol
Exact Mass420.91
IUPAC Name2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C12H13Br2N3O2S/c1-3-8-6-15-16-12(8)17-20(18,19)11-5-9(13)7(2)4-10(11)14/h4-6H,3H2,1-2H3,(H2,15,16,17)
InChIKeySODXORYHEWHLJP-UHFFFAOYSA-N
XLogP3.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.13
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 81327392
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylsulfonylmethanesulfonamide
CID 104621010
4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 104617678
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
N-(4-ethyl-1H-pyrazol-5-yl)-5-fluoropyridine-3-sulfonamide
CID 113433882
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
CID 104617199
N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414971

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide (CID 104620958) is 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is SODXORYHEWHLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O2S/c1-3-8-6-15-16-12(8)17-20(18,19)11-5-9(13)7(2)4-10(11)14/h4-6H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 423.13 g/mol, XLogP of 3.61, 4 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-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 104620958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).