3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide

C22H20FN3O3S — CID 164625959

IUPAC3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C22H20FN3O3S/c1-14(2)29-18-9-7-17(8-10-18)26-30(27,28)19-5-3-4-15(12-19)22-20-11-6-16(23)13-21(20)24-25-22/h3-14,26H,1-2H3,(H,24,25)
InChIKeyKAYPPNDWFLSCBV-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.96
Rot. Bonds6

About 3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide

3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide (PubChem CID 164625959) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide
PubChem CID164625959
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C22H20FN3O3S/c1-14(2)29-18-9-7-17(8-10-18)26-30(27,28)19-5-3-4-15(12-19)22-20-11-6-16(23)13-21(20)24-25-22/h3-14,26H,1-2H3,(H,24,25)
InChIKeyKAYPPNDWFLSCBV-UHFFFAOYSA-N
XLogP4.96
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.96
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-propan-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide (CID 164625959) is 3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide is CC(C)Oc1ccc(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-propan-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is KAYPPNDWFLSCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-14(2)29-18-9-7-17(8-10-18)26-30(27,28)19-5-3-4-15(12-19)22-20-11-6-16(23)13-21(20)24-25-22/h3-14,26H,1-2H3,(H,24,25).
What are the key properties of 3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide?
3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 425.49 g/mol, XLogP of 4.96, 6 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-propan-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 164625959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).