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

C11H13FN4O2S — CID 82844185

IUPAC4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H13FN4O2S/c1-16-8(4-5-14-16)7-15-19(17,18)9-2-3-11(13)10(12)6-9/h2-6,15H,7,13H2,1H3
InChIKeySTYWFBJHQALSSP-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.62
Rot. Bonds4

About 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 82844185) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID82844185
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H13FN4O2S/c1-16-8(4-5-14-16)7-15-19(17,18)9-2-3-11(13)10(12)6-9/h2-6,15H,7,13H2,1H3
InChIKeySTYWFBJHQALSSP-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

5-amino-2,4-difluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304324
5-amino-4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 116530327
3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 107325827
2-amino-4,6-dibromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304710
2-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]phenyl]ethanethioamide
CID 79203528
4-amino-3-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 82844259
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 65206650
4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 82843953

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 82844185) is 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1nccc1CNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is STYWFBJHQALSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-16-8(4-5-14-16)7-15-19(17,18)9-2-3-11(13)10(12)6-9/h2-6,15H,7,13H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
4-amino-3-fluoro-N-[(2-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 4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82844185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).