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

C16H15F2N3O3S — CID 67662491

IUPACN-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(C(F)F)nn2NS(=O)(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C16H15F2N3O3S/c1-10-8-13(11(2)24-10)15-9-14(16(17)18)19-21(15)20-25(22,23)12-6-4-3-5-7-12/h3-9,16,20H,1-2H3
InChIKeyASAJBBRXXLGIQK-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.63
Rot. Bonds5

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

N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67662491) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67662491
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC NameN-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(C(F)F)nn2NS(=O)(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C16H15F2N3O3S/c1-10-8-13(11(2)24-10)15-9-14(16(17)18)19-21(15)20-25(22,23)12-6-4-3-5-7-12/h3-9,16,20H,1-2H3
InChIKeyASAJBBRXXLGIQK-UHFFFAOYSA-N
XLogP3.63
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.63
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-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide (CID 67662491) is N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide is Cc1cc(-c2cc(C(F)F)nn2NS(=O)(=O)c2ccccc2)c(C)o1.
What is the InChIKey of N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ASAJBBRXXLGIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c1-10-8-13(11(2)24-10)15-9-14(16(17)18)19-21(15)20-25(22,23)12-6-4-3-5-7-12/h3-9,16,20H,1-2H3.
What are the key properties of N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide?
N-[3-(difluoromethyl)-5-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 367.38 g/mol, XLogP of 3.63, 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-(2,5-dimethylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67662491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).