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

C12H12FN5O2S — CID 105359179

IUPAC3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(F)cc2C#N)c(N)nn1C
InChIInChI=1S/C12H12FN5O2S/c1-7-11(12(15)16-18(7)2)21(19,20)17-10-4-3-9(13)5-8(10)6-14/h3-5,17H,1-2H3,(H2,15,16)
InChIKeyBNUSMBFFWRVSBE-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.12
Rot. Bonds3

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

3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105359179) has the molecular formula C12H12FN5O2S and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105359179
Molecular FormulaC12H12FN5O2S
Molecular Weight309.33 g/mol
Exact Mass309.07
IUPAC Name3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(F)cc2C#N)c(N)nn1C
InChIInChI=1S/C12H12FN5O2S/c1-7-11(12(15)16-18(7)2)21(19,20)17-10-4-3-9(13)5-8(10)6-14/h3-5,17H,1-2H3,(H2,15,16)
InChIKeyBNUSMBFFWRVSBE-UHFFFAOYSA-N
XLogP1.12
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358087
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-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359202
2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene
CID 82015510
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105359179) is 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(F)cc2C#N)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is BNUSMBFFWRVSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2S/c1-7-11(12(15)16-18(7)2)21(19,20)17-10-4-3-9(13)5-8(10)6-14/h3-5,17H,1-2H3,(H2,15,16).
What are the key properties of 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 309.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105359179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).