4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide

C14H12FN3O3S — CID 2982011

IUPAC4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)ccc1F
InChIInChI=1S/C14H12FN3O3S/c1-21-13-7-10(5-6-11(13)15)22(19,20)18-12-4-2-3-9-8-16-17-14(9)12/h2-8,18H,1H3,(H,16,17)
InChIKeyXWBATMKEXOOMBW-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.51
Rot. Bonds4

About 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide

4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide (PubChem CID 2982011) has the molecular formula C14H12FN3O3S and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide
PubChem CID2982011
Molecular FormulaC14H12FN3O3S
Molecular Weight321.33 g/mol
Exact Mass321.06
IUPAC Name4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)ccc1F
InChIInChI=1S/C14H12FN3O3S/c1-21-13-7-10(5-6-11(13)15)22(19,20)18-12-4-2-3-9-8-16-17-14(9)12/h2-8,18H,1H3,(H,16,17)
InChIKeyXWBATMKEXOOMBW-UHFFFAOYSA-N
XLogP2.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide (CID 2982011) is 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)ccc1F.
What is the InChIKey of 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide?
The InChIKey is XWBATMKEXOOMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3S/c1-21-13-7-10(5-6-11(13)15)22(19,20)18-12-4-2-3-9-8-16-17-14(9)12/h2-8,18H,1H3,(H,16,17).
What are the key properties of 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide?
4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide has a molecular weight of 321.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-indazol-7-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 2982011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).