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

C18H13F2N3O3S — CID 67663460

IUPAC2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(C(F)F)cc1-c1occ2ccccc12
InChIInChI=1S/C18H13F2N3O3S/c19-18(20)13-9-15(17-12-6-2-1-5-11(12)10-26-17)23(22-13)14-7-3-4-8-16(14)27(21,24)25/h1-10,18H,(H2,21,24,25)
InChIKeyPMIFGQQTKAJILU-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.87
Rot. Bonds4

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

2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67663460) has the molecular formula C18H13F2N3O3S and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67663460
Molecular FormulaC18H13F2N3O3S
Molecular Weight389.38 g/mol
Exact Mass389.06
IUPAC Name2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(C(F)F)cc1-c1occ2ccccc12
InChIInChI=1S/C18H13F2N3O3S/c19-18(20)13-9-15(17-12-6-2-1-5-11(12)10-26-17)23(22-13)14-7-3-4-8-16(14)27(21,24)25/h1-10,18H,(H2,21,24,25)
InChIKeyPMIFGQQTKAJILU-UHFFFAOYSA-N
XLogP3.87
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67663460) is 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(C(F)F)cc1-c1occ2ccccc12.
What is the InChIKey of 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is PMIFGQQTKAJILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3S/c19-18(20)13-9-15(17-12-6-2-1-5-11(12)10-26-17)23(22-13)14-7-3-4-8-16(14)27(21,24)25/h1-10,18H,(H2,21,24,25).
What are the key properties of 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 389.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-benzofuran-1-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67663460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).