N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide

C9H7BrFN3O2S — CID 115663189

IUPACN-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1)c1cn[nH]c1
InChIInChI=1S/C9H7BrFN3O2S/c10-8-3-6(1-2-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyYILXPJGGJDDDMB-UHFFFAOYSA-N
MW320.14 g/mol
LogP2.11
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide

N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 115663189) has the molecular formula C9H7BrFN3O2S and a molecular weight of 320.14 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID115663189
Molecular FormulaC9H7BrFN3O2S
Molecular Weight320.14 g/mol
Exact Mass318.94
IUPAC NameN-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1)c1cn[nH]c1
InChIInChI=1S/C9H7BrFN3O2S/c10-8-3-6(1-2-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyYILXPJGGJDDDMB-UHFFFAOYSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 103847505
N-(4-bromo-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 79767477
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 60933682
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
3-[2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 77069486

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide (CID 115663189) is N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(F)c(Br)c1)c1cn[nH]c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YILXPJGGJDDDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O2S/c10-8-3-6(1-2-9(8)11)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13).
What are the key properties of N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide?
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 320.14 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115663189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).