N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C14H9ClF3N3O3S — CID 67647303

IUPACN-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(Cl)o1)c1ccccc1
InChIInChI=1S/C14H9ClF3N3O3S/c15-13-7-6-11(24-13)10-8-12(14(16,17)18)19-21(10)20-25(22,23)9-4-2-1-3-5-9/h1-8,20H
InChIKeyHZKOJYNZHAZUJI-UHFFFAOYSA-N
MW391.76 g/mol
LogP3.75
Rot. Bonds4

About N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67647303) has the molecular formula C14H9ClF3N3O3S and a molecular weight of 391.76 g/mol. Its IUPAC name is N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67647303
Molecular FormulaC14H9ClF3N3O3S
Molecular Weight391.76 g/mol
Exact Mass391.00
IUPAC NameN-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(Cl)o1)c1ccccc1
InChIInChI=1S/C14H9ClF3N3O3S/c15-13-7-6-11(24-13)10-8-12(14(16,17)18)19-21(10)20-25(22,23)9-4-2-1-3-5-9/h1-8,20H
InChIKeyHZKOJYNZHAZUJI-UHFFFAOYSA-N
XLogP3.75
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.76
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67647303) is N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(Cl)o1)c1ccccc1.
What is the InChIKey of N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HZKOJYNZHAZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O3S/c15-13-7-6-11(24-13)10-8-12(14(16,17)18)19-21(10)20-25(22,23)9-4-2-1-3-5-9/h1-8,20H.
What are the key properties of N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 391.76 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67647303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).