3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide

C20H16FN3O3S — CID 164628126

IUPAC3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C20H16FN3O3S/c1-27-19-8-3-2-7-17(19)24-28(25,26)15-6-4-5-13(11-15)20-16-10-9-14(21)12-18(16)22-23-20/h2-12,24H,1H3,(H,22,23)
InChIKeyVMEPJWIYKUOMMA-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.18
Rot. Bonds5

About 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide

3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 164628126) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID164628126
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(-c2n[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C20H16FN3O3S/c1-27-19-8-3-2-7-17(19)24-28(25,26)15-6-4-5-13(11-15)20-16-10-9-14(21)12-18(16)22-23-20/h2-12,24H,1H3,(H,22,23)
InChIKeyVMEPJWIYKUOMMA-UHFFFAOYSA-N
XLogP4.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide
CID 53476531
3-(5-phenylmethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 68230037
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 164609444
N-(3-chloro-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
CID 71459614
3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide
CID 164625959
3-(4-methoxy-1H-indazol-3-yl)benzenesulfonamide
CID 118712911
3-(3-Methoxyphenyl)-1-(4-methylphenyl)sulfonylindazole
CID 135005555
5-[5-(5-Ethyl-2-methoxyphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-fluoroaniline
CID 171674028
5-fluoro-N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
CID 1509871
4-fluoro-N-(1H-indazol-6-yl)-3-methoxybenzenesulfonamide
CID 1509872

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide (CID 164628126) is 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cccc(-c2n[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is VMEPJWIYKUOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-27-19-8-3-2-7-17(19)24-28(25,26)15-6-4-5-13(11-15)20-16-10-9-14(21)12-18(16)22-23-20/h2-12,24H,1H3,(H,22,23).
What are the key properties of 3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide?
3-(6-fluoro-1H-indazol-3-yl)-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 4.18, 5 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-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 164628126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).