3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide

C19H13F2N3O2S — CID 164617830

IUPAC3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H13F2N3O2S/c20-13-4-7-15(8-5-13)24-27(25,26)16-3-1-2-12(10-16)19-17-9-6-14(21)11-18(17)22-23-19/h1-11,24H,(H,22,23)
InChIKeyDFMYKJOMQJVLTR-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.31
Rot. Bonds4

About 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide

3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 164617830) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID164617830
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H13F2N3O2S/c20-13-4-7-15(8-5-13)24-27(25,26)16-3-1-2-12(10-16)19-17-9-6-14(21)11-18(17)22-23-19/h1-11,24H,(H,22,23)
InChIKeyDFMYKJOMQJVLTR-UHFFFAOYSA-N
XLogP4.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide (CID 164617830) is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is DFMYKJOMQJVLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c20-13-4-7-15(8-5-13)24-27(25,26)16-3-1-2-12(10-16)19-17-9-6-14(21)11-18(17)22-23-19/h1-11,24H,(H,22,23).
What are the key properties of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide?
3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 385.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 164617830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).