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

C20H22FN3O3S — CID 155542401

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C2CCCC2)c2cn[nH]c2c1
InChIInChI=1S/C20H22FN3O3S/c1-2-12-9-20(25)17(21)10-15(12)13-7-18-16(11-22-23-18)19(8-13)24-28(26,27)14-5-3-4-6-14/h7-11,14,24-25H,2-6H2,1H3,(H,22,23)
InChIKeyWTFWXXWVUZPMIY-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.32
Rot. Bonds5

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

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide (PubChem CID 155542401) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide
PubChem CID155542401
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C2CCCC2)c2cn[nH]c2c1
InChIInChI=1S/C20H22FN3O3S/c1-2-12-9-20(25)17(21)10-15(12)13-7-18-16(11-22-23-18)19(8-13)24-28(26,27)14-5-3-4-6-14/h7-11,14,24-25H,2-6H2,1H3,(H,22,23)
InChIKeyWTFWXXWVUZPMIY-UHFFFAOYSA-N
XLogP4.32
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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]cyclopentanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide (CID 155542401) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C2CCCC2)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide?
The InChIKey is WTFWXXWVUZPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-2-12-9-20(25)17(21)10-15(12)13-7-18-16(11-22-23-18)19(8-13)24-28(26,27)14-5-3-4-6-14/h7-11,14,24-25H,2-6H2,1H3,(H,22,23).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide has a molecular weight of 403.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide is sourced from PubChem (CID 155542401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).