3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H11BrF2N4O2S — CID 105358264

IUPAC3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c(N)nn1C
InChIInChI=1S/C11H11BrF2N4O2S/c1-5-10(11(15)16-18(5)2)21(19,20)17-9-7(12)3-6(13)4-8(9)14/h3-4,17H,1-2H3,(H2,15,16)
InChIKeyKWAWSETZUMTOGX-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358264) has the molecular formula C11H11BrF2N4O2S and a molecular weight of 381.20 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358264
Molecular FormulaC11H11BrF2N4O2S
Molecular Weight381.20 g/mol
Exact Mass379.98
IUPAC Name3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c(N)nn1C
InChIInChI=1S/C11H11BrF2N4O2S/c1-5-10(11(15)16-18(5)2)21(19,20)17-9-7(12)3-6(13)4-8(9)14/h3-4,17H,1-2H3,(H2,15,16)
InChIKeyKWAWSETZUMTOGX-UHFFFAOYSA-N
XLogP2.15
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359202
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358010
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359094
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545
N-(2-amino-6-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 116813776
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359179
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105358264) is 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is KWAWSETZUMTOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4O2S/c1-5-10(11(15)16-18(5)2)21(19,20)17-9-7(12)3-6(13)4-8(9)14/h3-4,17H,1-2H3,(H2,15,16).
What are the key properties of 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 381.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).