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

C10H9BrFN3O2S — CID 54929733

IUPACN-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H9BrFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-9-4-7(11)2-3-8(9)12/h2-5,15H,1H3,(H,13,14)
InChIKeyCLQYQGVWKCPEJG-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.42
Rot. Bonds3

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

N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929733) has the molecular formula C10H9BrFN3O2S and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929733
Molecular FormulaC10H9BrFN3O2S
Molecular Weight334.17 g/mol
Exact Mass332.96
IUPAC NameN-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H9BrFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-9-4-7(11)2-3-8(9)12/h2-5,15H,1H3,(H,13,14)
InChIKeyCLQYQGVWKCPEJG-UHFFFAOYSA-N
XLogP2.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-[(5-bromo-2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61301023
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
2-amino-N-(5-bromo-2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43555520
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911752
N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275948
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929733) is N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is CLQYQGVWKCPEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O2S/c1-6-10(5-13-14-6)18(16,17)15-9-4-7(11)2-3-8(9)12/h2-5,15H,1H3,(H,13,14).
What are the key properties of N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 334.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).