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

C19H14FN3O2S — CID 164617510

IUPAC4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C19H14FN3O2S/c20-14-8-11-17-18(12-14)21-22-19(17)13-6-9-16(10-7-13)26(24,25)23-15-4-2-1-3-5-15/h1-12,23H,(H,21,22)
InChIKeyDTKABZJHKICMNB-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.17
Rot. Bonds4

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

4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide (PubChem CID 164617510) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
PubChem CID164617510
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C19H14FN3O2S/c20-14-8-11-17-18(12-14)21-22-19(17)13-6-9-16(10-7-13)26(24,25)23-15-4-2-1-3-5-15/h1-12,23H,(H,21,22)
InChIKeyDTKABZJHKICMNB-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 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide (CID 164617510) is 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide?
The InChIKey is DTKABZJHKICMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-14-8-11-17-18(12-14)21-22-19(17)13-6-9-16(10-7-13)26(24,25)23-15-4-2-1-3-5-15/h1-12,23H,(H,21,22).
What are the key properties of 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide?
4-(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 4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 164617510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).