3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H13FN4O2S — CID 105357989

IUPAC3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccccc2F)c(N)nn1C
InChIInChI=1S/C11H13FN4O2S/c1-7-10(11(13)14-16(7)2)19(17,18)15-9-6-4-3-5-8(9)12/h3-6,15H,1-2H3,(H2,13,14)
InChIKeyCEKDVRAQJNYDAS-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.25
Rot. Bonds3

About 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105357989) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105357989
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccccc2F)c(N)nn1C
InChIInChI=1S/C11H13FN4O2S/c1-7-10(11(13)14-16(7)2)19(17,18)15-9-6-4-3-5-8(9)12/h3-6,15H,1-2H3,(H2,13,14)
InChIKeyCEKDVRAQJNYDAS-UHFFFAOYSA-N
XLogP1.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 103477293
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-(2,6-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-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773407
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359202
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105357989) is 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccccc2F)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is CEKDVRAQJNYDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-7-10(11(13)14-16(7)2)19(17,18)15-9-6-4-3-5-8(9)12/h3-6,15H,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.25, 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-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105357989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).