3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide

C11H12F2N4O2S — CID 107343064

IUPAC3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(N)c2F)n(C)n1
InChIInChI=1S/C11H12F2N4O2S/c1-6-5-9(17(2)15-6)16-20(18,19)8-4-3-7(12)11(14)10(8)13/h3-5,16H,14H2,1-2H3
InChIKeyBWXIXZDWUUPOQD-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.39
Rot. Bonds3

About 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide

3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 107343064) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
PubChem CID107343064
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(N)c2F)n(C)n1
InChIInChI=1S/C11H12F2N4O2S/c1-6-5-9(17(2)15-6)16-20(18,19)8-4-3-7(12)11(14)10(8)13/h3-5,16H,14H2,1-2H3
InChIKeyBWXIXZDWUUPOQD-UHFFFAOYSA-N
XLogP1.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
CID 3730633
2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888795
2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796
5-amino-2-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 65202375
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 54921964
3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 107343103
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 107343891
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
6-amino-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 62143351
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide (CID 107343064) is 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)c(N)c2F)n(C)n1.
What is the InChIKey of 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is BWXIXZDWUUPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c1-6-5-9(17(2)15-6)16-20(18,19)8-4-3-7(12)11(14)10(8)13/h3-5,16H,14H2,1-2H3.
What are the key properties of 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 302.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).