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

C20H16FN3O3S — CID 164609444

IUPAC3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H16FN3O3S/c1-27-16-8-6-15(7-9-16)24-28(25,26)17-4-2-3-13(11-17)20-18-10-5-14(21)12-19(18)22-23-20/h2-12,24H,1H3,(H,22,23)
InChIKeyNFOROSFXOBRQDY-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.18
Rot. Bonds5

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

3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 164609444) 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-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID164609444
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H16FN3O3S/c1-27-16-8-6-15(7-9-16)24-28(25,26)17-4-2-3-13(11-17)20-18-10-5-14(21)12-19(18)22-23-20/h2-12,24H,1H3,(H,22,23)
InChIKeyNFOROSFXOBRQDY-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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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 164609444) is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1.
What is the InChIKey of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is NFOROSFXOBRQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-27-16-8-6-15(7-9-16)24-28(25,26)17-4-2-3-13(11-17)20-18-10-5-14(21)12-19(18)22-23-20/h2-12,24H,1H3,(H,22,23).
What are the key properties of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide?
3-(6-fluoro-1H-indazol-3-yl)-N-(4-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-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 164609444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).