N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide

C20H16FN3O3S — CID 163234039

IUPACN-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1
InChIInChI=1S/C20H16FN3O3S/c1-28(26,27)23-16-5-2-13(3-6-16)14-4-9-19-15(10-14)12-22-24(19)17-7-8-18(21)20(25)11-17/h2-12,23,25H,1H3
InChIKeySPAPFWVQGVIWAY-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.91
Rot. Bonds4

About N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide

N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide (PubChem CID 163234039) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide
PubChem CID163234039
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1
InChIInChI=1S/C20H16FN3O3S/c1-28(26,27)23-16-5-2-13(3-6-16)14-4-9-19-15(10-14)12-22-24(19)17-7-8-18(21)20(25)11-17/h2-12,23,25H,1H3
InChIKeySPAPFWVQGVIWAY-UHFFFAOYSA-N
XLogP3.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol
CID 135567434
4-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831087
3-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831397
2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-m-tolylethanol
CID 46888416
US11787780, Example 160
CID 166916870
1-(4-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888393
1H-Indazol-4-ol, 1-phenyl-5-(phenylmethyl)-
CID 135705548
N-(2-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)methanesulfonamide
CID 163233801
5-(5-(3,5-Dimethyl-1H-pyrazol-4-yl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233829
2,3-Difluoro-5-(5-(6-methylpyridin-3-yl)-1H-indazol-1-yl)phenol
CID 163233832
1-(3,4-Difluoro-5-hydroxyphenyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazole-6-carbonitrile
CID 163233844
4-(1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)-N-methyl-1-(methylsulfonyl)piperidine-4-carboxamide
CID 163233863

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide (CID 163234039) is N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1.
What is the InChIKey of N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is SPAPFWVQGVIWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-28(26,27)23-16-5-2-13(3-6-16)14-4-9-19-15(10-14)12-22-24(19)17-7-8-18(21)20(25)11-17/h2-12,23,25H,1H3.
What are the key properties of N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide?
N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 163234039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).