5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

C11H13FN4O2S — CID 82882897

IUPAC5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cc(N)ccc2F)n1
InChIInChI=1S/C11H13FN4O2S/c1-16-5-4-9(15-16)7-14-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,14H,7,13H2,1H3
InChIKeyBVOXIFZHDIICPI-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.62
Rot. Bonds4

About 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 82882897) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID82882897
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cc(N)ccc2F)n1
InChIInChI=1S/C11H13FN4O2S/c1-16-5-4-9(15-16)7-14-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,14H,7,13H2,1H3
InChIKeyBVOXIFZHDIICPI-UHFFFAOYSA-N
XLogP0.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.62
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

2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882446
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
4-amino-2,6-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882267
5-amino-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282243
2-amino-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82882628
2,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207740
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
3-amino-2,4-difluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103901
4-chloro-3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872668
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 82882897) is 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2cc(N)ccc2F)n1.
What is the InChIKey of 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is BVOXIFZHDIICPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-16-5-4-9(15-16)7-14-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,14H,7,13H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82882897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).