3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide

C18H13FN4O2S — CID 164620720

IUPAC3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C18H13FN4O2S/c19-13-6-7-16-17(10-13)21-22-18(16)12-3-1-5-15(9-12)26(24,25)23-14-4-2-8-20-11-14/h1-11,23H,(H,21,22)
InChIKeyDCBQXVYNGIEOCM-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.56
Rot. Bonds4

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

3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 164620720) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID164620720
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C18H13FN4O2S/c19-13-6-7-16-17(10-13)21-22-18(16)12-3-1-5-15(9-12)26(24,25)23-14-4-2-8-20-11-14/h1-11,23H,(H,21,22)
InChIKeyDCBQXVYNGIEOCM-UHFFFAOYSA-N
XLogP3.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide (CID 164620720) is 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnc1)c1cccc(-c2n[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is DCBQXVYNGIEOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-13-6-7-16-17(10-13)21-22-18(16)12-3-1-5-15(9-12)26(24,25)23-14-4-2-8-20-11-14/h1-11,23H,(H,21,22).
What are the key properties of 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide?
3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 368.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 164620720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).