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

C10H9Br2N3O2S — CID 81326724

IUPAC2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cn[nH]c2)cc1Br
InChIInChI=1S/C10H9Br2N3O2S/c1-6-2-9(12)10(3-8(6)11)18(16,17)15-7-4-13-14-5-7/h2-5,15H,1H3,(H,13,14)
InChIKeyOKOJVGZQHKIWOX-UHFFFAOYSA-N
MW395.08 g/mol
LogP3.04
Rot. Bonds3

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

2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 81326724) has the molecular formula C10H9Br2N3O2S and a molecular weight of 395.08 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID81326724
Molecular FormulaC10H9Br2N3O2S
Molecular Weight395.08 g/mol
Exact Mass392.88
IUPAC Name2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cn[nH]c2)cc1Br
InChIInChI=1S/C10H9Br2N3O2S/c1-6-2-9(12)10(3-8(6)11)18(16,17)15-7-4-13-14-5-7/h2-5,15H,1H3,(H,13,14)
InChIKeyOKOJVGZQHKIWOX-UHFFFAOYSA-N
XLogP3.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.08
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 80708187
2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829
2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427019
4,5-dimethyl-2-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540522
2,5-dibromo-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 104620958
2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 43540191
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
CID 139014532
2,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 81327392
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
CID 114134489

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 81326724) is 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2cn[nH]c2)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is OKOJVGZQHKIWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O2S/c1-6-2-9(12)10(3-8(6)11)18(16,17)15-7-4-13-14-5-7/h2-5,15H,1H3,(H,13,14).
What are the key properties of 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 395.08 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 81326724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).