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

C20H16FN3O2S — CID 164614344

IUPAC3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H16FN3O2S/c1-13-5-8-16(9-6-13)24-27(25,26)17-4-2-3-14(11-17)20-18-10-7-15(21)12-19(18)22-23-20/h2-12,24H,1H3,(H,22,23)
InChIKeyUVTORBVTBSZTAK-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.48
Rot. Bonds4

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

3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 164614344) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID164614344
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H16FN3O2S/c1-13-5-8-16(9-6-13)24-27(25,26)17-4-2-3-14(11-17)20-18-10-7-15(21)12-19(18)22-23-20/h2-12,24H,1H3,(H,22,23)
InChIKeyUVTORBVTBSZTAK-UHFFFAOYSA-N
XLogP4.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide (CID 164614344) is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(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-methylphenyl)benzenesulfonamide?
The InChIKey is UVTORBVTBSZTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-13-5-8-16(9-6-13)24-27(25,26)17-4-2-3-14(11-17)20-18-10-7-15(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-methylphenyl)benzenesulfonamide?
3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 381.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 164614344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).