3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide

C19H14FN3O2S — CID 164619084

IUPAC3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H14FN3O2S/c20-14-9-10-17-18(12-14)21-22-19(17)13-5-4-8-16(11-13)26(24,25)23-15-6-2-1-3-7-15/h1-12,23H,(H,21,22)
InChIKeyORHOFZHZKBMJDI-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.17
Rot. Bonds4

About 3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide

3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide (PubChem CID 164619084) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
PubChem CID164619084
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H14FN3O2S/c20-14-9-10-17-18(12-14)21-22-19(17)13-5-4-8-16(11-13)26(24,25)23-15-6-2-1-3-7-15/h1-12,23H,(H,21,22)
InChIKeyORHOFZHZKBMJDI-UHFFFAOYSA-N
XLogP4.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.17
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-phenylbenzenesulfonamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide (CID 164619084) is 3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide?
The InChIKey is ORHOFZHZKBMJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-14-9-10-17-18(12-14)21-22-19(17)13-5-4-8-16(11-13)26(24,25)23-15-6-2-1-3-7-15/h1-12,23H,(H,21,22).
What are the key properties of 3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide?
3-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide has a molecular weight of 367.41 g/mol, XLogP of 4.17, 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-phenylbenzenesulfonamide is sourced from PubChem (CID 164619084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).