3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide

C19H13F2N3O2S — CID 118712909

IUPAC3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3cccc(-c4c(F)cccc4F)c23)c1
InChIInChI=1S/C19H13F2N3O2S/c20-14-7-3-8-15(21)17(14)13-6-2-9-16-18(13)19(24-23-16)11-4-1-5-12(10-11)27(22,25)26/h1-10H,(H,23,24)(H2,22,25,26)
InChIKeyWUFAULWDJBLNDT-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.82
Rot. Bonds3

About 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide

3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide (PubChem CID 118712909) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide
PubChem CID118712909
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3cccc(-c4c(F)cccc4F)c23)c1
InChIInChI=1S/C19H13F2N3O2S/c20-14-7-3-8-15(21)17(14)13-6-2-9-16-18(13)19(24-23-16)11-4-1-5-12(10-11)27(22,25)26/h1-10H,(H,23,24)(H2,22,25,26)
InChIKeyWUFAULWDJBLNDT-UHFFFAOYSA-N
XLogP3.82
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide (CID 118712909) is 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2n[nH]c3cccc(-c4c(F)cccc4F)c23)c1.
What is the InChIKey of 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide?
The InChIKey is WUFAULWDJBLNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c20-14-7-3-8-15(21)17(14)13-6-2-9-16-18(13)19(24-23-16)11-4-1-5-12(10-11)27(22,25)26/h1-10H,(H,23,24)(H2,22,25,26).
What are the key properties of 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide?
3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide has a molecular weight of 385.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-difluorophenyl)-1H-indazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 118712909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).