2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C11H12FN3O2S — CID 54897316

IUPAC2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C11H12FN3O2S/c1-8-2-3-10(12)11(4-8)18(16,17)15-7-9-5-13-14-6-9/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyGKZLFLWVHUXPHE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.34
Rot. Bonds4

About 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 54897316) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID54897316
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C11H12FN3O2S/c1-8-2-3-10(12)11(4-8)18(16,17)15-7-9-5-13-14-6-9/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyGKZLFLWVHUXPHE-UHFFFAOYSA-N
XLogP1.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylaminomethyl)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016137
2-fluoro-4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016085
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
3-(aminomethyl)-2,4-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016034
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 115992191
5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016051
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 116529070
3,4-dimethyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzoic acid
CID 60999441
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016129
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 114379208
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 54897316) is 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NCc2cn[nH]c2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is GKZLFLWVHUXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8-2-3-10(12)11(4-8)18(16,17)15-7-9-5-13-14-6-9/h2-6,15H,7H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 54897316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).