3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide

C11H13FN4O3S — CID 60808628

IUPAC3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)nc2N)cc1F
InChIInChI=1S/C11H13FN4O3S/c1-16-6-10(11(13)14-16)20(17,18)15-7-3-4-9(19-2)8(12)5-7/h3-6,15H,1-2H3,(H2,13,14)
InChIKeyALHLWVPZRMJUAO-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.95
Rot. Bonds4

About 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 60808628) has the molecular formula C11H13FN4O3S and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID60808628
Molecular FormulaC11H13FN4O3S
Molecular Weight300.32 g/mol
Exact Mass300.07
IUPAC Name3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)nc2N)cc1F
InChIInChI=1S/C11H13FN4O3S/c1-16-6-10(11(13)14-16)20(17,18)15-7-3-4-9(19-2)8(12)5-7/h3-6,15H,1-2H3,(H2,13,14)
InChIKeyALHLWVPZRMJUAO-UHFFFAOYSA-N
XLogP0.95
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide
CID 107786922
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
3-amino-N-(3,4-difluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60813521
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60810406
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide (CID 60808628) is 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cn(C)nc2N)cc1F.
What is the InChIKey of 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is ALHLWVPZRMJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3S/c1-16-6-10(11(13)14-16)20(17,18)15-7-3-4-9(19-2)8(12)5-7/h3-6,15H,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 300.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).