2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

C11H11F2N3O2S — CID 22207747

IUPAC2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C11H11F2N3O2S/c1-16-5-4-9(15-16)7-14-19(17,18)11-6-8(12)2-3-10(11)13/h2-6,14H,7H2,1H3
InChIKeyAHLSKMCBFFLDOR-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.18
Rot. Bonds4

About 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 22207747) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID22207747
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C11H11F2N3O2S/c1-16-5-4-9(15-16)7-14-19(17,18)11-6-8(12)2-3-10(11)13/h2-6,14H,7H2,1H3
InChIKeyAHLSKMCBFFLDOR-UHFFFAOYSA-N
XLogP1.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882897
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882446
2,5-difluoro-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 90569769
2,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207740
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207763
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
2-amino-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82882628
4-chloro-3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872668
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78920967
4-fluoro-3-[(1-methylpyrazol-3-yl)methylsulfonyl]benzoic acid
CID 82866210

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 22207747) is 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is AHLSKMCBFFLDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-16-5-4-9(15-16)7-14-19(17,18)11-6-8(12)2-3-10(11)13/h2-6,14H,7H2,1H3.
What are the key properties of 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 22207747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).