N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide

C22H27FN4O3S — CID 155545338

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCN2CCCCC2)c2cn[nH]c2c1
InChIInChI=1S/C22H27FN4O3S/c1-2-15-12-22(28)19(23)13-17(15)16-10-20-18(14-24-25-20)21(11-16)26-31(29,30)9-8-27-6-4-3-5-7-27/h10-14,26,28H,2-9H2,1H3,(H,24,25)
InChIKeyCDWPEMMGCKFZHG-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.86
Rot. Bonds7

About N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide (PubChem CID 155545338) has the molecular formula C22H27FN4O3S and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide
PubChem CID155545338
Molecular FormulaC22H27FN4O3S
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCN2CCCCC2)c2cn[nH]c2c1
InChIInChI=1S/C22H27FN4O3S/c1-2-15-12-22(28)19(23)13-17(15)16-10-20-18(14-24-25-20)21(11-16)26-31(29,30)9-8-27-6-4-3-5-7-27/h10-14,26,28H,2-9H2,1H3,(H,24,25)
InChIKeyCDWPEMMGCKFZHG-UHFFFAOYSA-N
XLogP3.86
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide (CID 155545338) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCN2CCCCC2)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide?
The InChIKey is CDWPEMMGCKFZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3S/c1-2-15-12-22(28)19(23)13-17(15)16-10-20-18(14-24-25-20)21(11-16)26-31(29,30)9-8-27-6-4-3-5-7-27/h10-14,26,28H,2-9H2,1H3,(H,24,25).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide has a molecular weight of 446.55 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide is sourced from PubChem (CID 155545338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).