N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H9BrN4O2S — CID 61274012

IUPACN-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C11H9BrN4O2S/c1-7-11(6-14-15-7)19(17,18)16-10-3-2-8(5-13)4-9(10)12/h2-4,6,16H,1H3,(H,14,15)
InChIKeyQVJQKJGNBIEFJJ-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.15
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61274012) has the molecular formula C11H9BrN4O2S and a molecular weight of 341.19 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61274012
Molecular FormulaC11H9BrN4O2S
Molecular Weight341.19 g/mol
Exact Mass339.96
IUPAC NameN-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C11H9BrN4O2S/c1-7-11(6-14-15-7)19(17,18)16-10-3-2-8(5-13)4-9(10)12/h2-4,6,16H,1H3,(H,14,15)
InChIKeyQVJQKJGNBIEFJJ-UHFFFAOYSA-N
XLogP2.15
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929854
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275984
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide
CID 61052379
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61274012) is N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccc(C#N)cc1Br.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QVJQKJGNBIEFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2S/c1-7-11(6-14-15-7)19(17,18)16-10-3-2-8(5-13)4-9(10)12/h2-4,6,16H,1H3,(H,14,15).
What are the key properties of N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 341.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61274012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).