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

C20H16FN3O4S2 — CID 164621735

IUPAC3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H16FN3O4S2/c1-29(25,26)16-8-6-15(7-9-16)24-30(27,28)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)
InChIKeyRNVLUCHCKZGJKL-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.57
Rot. Bonds5

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

3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide (PubChem CID 164621735) has the molecular formula C20H16FN3O4S2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
PubChem CID164621735
Molecular FormulaC20H16FN3O4S2
Molecular Weight445.50 g/mol
Exact Mass445.06
IUPAC Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C20H16FN3O4S2/c1-29(25,26)16-8-6-15(7-9-16)24-30(27,28)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)
InChIKeyRNVLUCHCKZGJKL-UHFFFAOYSA-N
XLogP3.57
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide (CID 164621735) is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide is CS(=O)(=O)c1ccc(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-methylsulfonylphenyl)benzenesulfonamide?
The InChIKey is RNVLUCHCKZGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4S2/c1-29(25,26)16-8-6-15(7-9-16)24-30(27,28)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-methylsulfonylphenyl)benzenesulfonamide?
3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide has a molecular weight of 445.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 164621735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).