N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide

C19H15FN4O3S — CID 163234490

IUPACN-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cn1
InChIInChI=1S/C19H15FN4O3S/c1-28(26,27)23-19-7-3-13(10-21-19)12-2-6-17-14(8-12)11-22-24(17)15-4-5-16(20)18(25)9-15/h2-11,25H,1H3,(H,21,23)
InChIKeyYNTZCNSUMKCQLX-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.30
Rot. Bonds4

About N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide

N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 163234490) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide
PubChem CID163234490
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC NameN-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cn1
InChIInChI=1S/C19H15FN4O3S/c1-28(26,27)23-19-7-3-13(10-21-19)12-2-6-17-14(8-12)11-22-24(17)15-4-5-16(20)18(25)9-15/h2-11,25H,1H3,(H,21,23)
InChIKeyYNTZCNSUMKCQLX-UHFFFAOYSA-N
XLogP3.30
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl)phenol
CID 122531786
US10022376, Example 135
CID 136215120
4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531747
N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 164627876
US10022376, Example 131
CID 136215098
US10022376, Example 137
CID 136215116
US10022376, Example 138
CID 136215117
US10022376, Example 145
CID 136215121
US10022376, Example 146
CID 136215128
US10022376, Example 134
CID 136215133
US10022376, Example 136
CID 136215134
4-[2-Amino-4-ethyl-5-(1-methylindazol-5-yl)-3-pyridinyl]phenol
CID 145963452

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide (CID 163234490) is N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cn1.
What is the InChIKey of N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is YNTZCNSUMKCQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-28(26,27)23-19-7-3-13(10-21-19)12-2-6-17-14(8-12)11-22-24(17)15-4-5-16(20)18(25)9-15/h2-11,25H,1H3,(H,21,23).
What are the key properties of N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide?
N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 398.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 163234490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).