4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide

C21H18FN3O3S — CID 163234078

IUPAC4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1
InChIInChI=1S/C21H18FN3O3S/c1-24(2)29(27,28)18-7-3-14(4-8-18)15-5-10-20-16(11-15)13-23-25(20)17-6-9-19(22)21(26)12-17/h3-13,26H,1-2H3
InChIKeyIWLMFKKGSRLCCD-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.79
Rot. Bonds4

About 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide

4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 163234078) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID163234078
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1
InChIInChI=1S/C21H18FN3O3S/c1-24(2)29(27,28)18-7-3-14(4-8-18)15-5-10-20-16(11-15)13-23-25(20)17-6-9-19(22)21(26)12-17/h3-13,26H,1-2H3
InChIKeyIWLMFKKGSRLCCD-UHFFFAOYSA-N
XLogP3.79
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide (CID 163234078) is 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1.
What is the InChIKey of 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is IWLMFKKGSRLCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c1-24(2)29(27,28)18-7-3-14(4-8-18)15-5-10-20-16(11-15)13-23-25(20)17-6-9-19(22)21(26)12-17/h3-13,26H,1-2H3.
What are the key properties of 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide?
4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 411.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 163234078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).