2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

C15H13F2N3O3S — CID 71913130

IUPAC2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2[nH]nc(NS(=O)(=O)c3cc(F)ccc3F)c2C)o1
InChIInChI=1S/C15H13F2N3O3S/c1-8-3-6-12(23-8)14-9(2)15(19-18-14)20-24(21,22)13-7-10(16)4-5-11(13)17/h3-7H,1-2H3,(H2,18,19,20)
InChIKeyWWIKVFKJJLHZFN-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.37
Rot. Bonds4

About 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 71913130) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID71913130
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC Name2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2[nH]nc(NS(=O)(=O)c3cc(F)ccc3F)c2C)o1
InChIInChI=1S/C15H13F2N3O3S/c1-8-3-6-12(23-8)14-9(2)15(19-18-14)20-24(21,22)13-7-10(16)4-5-11(13)17/h3-7H,1-2H3,(H2,18,19,20)
InChIKeyWWIKVFKJJLHZFN-UHFFFAOYSA-N
XLogP3.37
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 71913130) is 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-c2[nH]nc(NS(=O)(=O)c3cc(F)ccc3F)c2C)o1.
What is the InChIKey of 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is WWIKVFKJJLHZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c1-8-3-6-12(23-8)14-9(2)15(19-18-14)20-24(21,22)13-7-10(16)4-5-11(13)17/h3-7H,1-2H3,(H2,18,19,20).
What are the key properties of 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 353.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71913130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).