N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide

C15H13F2N3O3S — CID 67662225

IUPACN-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)F)nn2NS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C15H13F2N3O3S/c1-10-7-8-14(23-10)13-9-12(15(16)17)18-20(13)19-24(21,22)11-5-3-2-4-6-11/h2-9,15,19H,1H3
InChIKeyHLWNWIZLHCVGFC-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide

N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67662225) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67662225
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC NameN-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)F)nn2NS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C15H13F2N3O3S/c1-10-7-8-14(23-10)13-9-12(15(16)17)18-20(13)19-24(21,22)11-5-3-2-4-6-11/h2-9,15,19H,1H3
InChIKeyHLWNWIZLHCVGFC-UHFFFAOYSA-N
XLogP3.32
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 67662225) is N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2cc(C(F)F)nn2NS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HLWNWIZLHCVGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c1-10-7-8-14(23-10)13-9-12(15(16)17)18-20(13)19-24(21,22)11-5-3-2-4-6-11/h2-9,15,19H,1H3.
What are the key properties of N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide?
N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 353.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-(5-methylfuran-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67662225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).