N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C17H15BrFN3O2S — CID 22773621

IUPACN-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H15BrFN3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-16-9-8-13(18)10-15(16)19/h3-10,21H,1-2H3
InChIKeyVHXZMXRLVHJZKQ-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.19
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22773621) has the molecular formula C17H15BrFN3O2S and a molecular weight of 424.30 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22773621
Molecular FormulaC17H15BrFN3O2S
Molecular Weight424.30 g/mol
Exact Mass423.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H15BrFN3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-16-9-8-13(18)10-15(16)19/h3-10,21H,1-2H3
InChIKeyVHXZMXRLVHJZKQ-UHFFFAOYSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774641
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989
N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773683
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773697
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17376527
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
N-(3-bromophenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075881
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
1-tert-butyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934783
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
N-(2-ethylphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53075803

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22773621) is N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is VHXZMXRLVHJZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O2S/c1-11-17(12(2)22(20-11)14-6-4-3-5-7-14)25(23,24)21-16-9-8-13(18)10-15(16)19/h3-10,21H,1-2H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 424.30 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).