3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C11H13FN4O2S — CID 115421296

IUPAC3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccn(C)n2)cc(N)c1F
InChIInChI=1S/C11H13FN4O2S/c1-7-5-8(6-9(13)11(7)12)19(17,18)15-10-3-4-16(2)14-10/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyPIQKVKFXMGVCLL-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.25
Rot. Bonds3

About 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 115421296) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID115421296
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccn(C)n2)cc(N)c1F
InChIInChI=1S/C11H13FN4O2S/c1-7-5-8(6-9(13)11(7)12)19(17,18)15-10-3-4-16(2)14-10/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyPIQKVKFXMGVCLL-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

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
CID 115421691
4-amino-2,6-dimethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 79589626
3-chloro-4-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 25041271
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 115421074
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624529
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 115421296) is 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccn(C)n2)cc(N)c1F.
What is the InChIKey of 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is PIQKVKFXMGVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-7-5-8(6-9(13)11(7)12)19(17,18)15-10-3-4-16(2)14-10/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
3-amino-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide 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-4-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 115421296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).