4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide

C17H10F7N3O3S — CID 10205360

IUPAC4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2-c2cccc(OC(F)(F)F)c2)cc1F
InChIInChI=1S/C17H10F7N3O3S/c18-11-6-15(31(25,28)29)12(19)5-10(11)14-7-13(16(20)21)26-27(14)8-2-1-3-9(4-8)30-17(22,23)24/h1-7,16H,(H2,25,28,29)
InChIKeyKDBNPRPROSBKKV-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.30
Rot. Bonds5

About 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide

4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 10205360) has the molecular formula C17H10F7N3O3S and a molecular weight of 469.34 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
PubChem CID10205360
Molecular FormulaC17H10F7N3O3S
Molecular Weight469.34 g/mol
Exact Mass469.03
IUPAC Name4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2-c2cccc(OC(F)(F)F)c2)cc1F
InChIInChI=1S/C17H10F7N3O3S/c18-11-6-15(31(25,28)29)12(19)5-10(11)14-7-13(16(20)21)26-27(14)8-2-1-3-9(4-8)30-17(22,23)24/h1-7,16H,(H2,25,28,29)
InChIKeyKDBNPRPROSBKKV-UHFFFAOYSA-N
XLogP4.30
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide (CID 10205360) is 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2-c2cccc(OC(F)(F)F)c2)cc1F.
What is the InChIKey of 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is KDBNPRPROSBKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F7N3O3S/c18-11-6-15(31(25,28)29)12(19)5-10(11)14-7-13(16(20)21)26-27(14)8-2-1-3-9(4-8)30-17(22,23)24/h1-7,16H,(H2,25,28,29).
What are the key properties of 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide?
4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 469.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 10205360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).