N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide

C24H22FN3O3S — CID 69022016

IUPACN-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@H](Oc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccccc1)C1CC1
InChIInChI=1S/C24H22FN3O3S/c25-18-8-6-17(7-9-18)24-21-14-19(10-13-22(21)27-28-24)31-23(16-4-2-1-3-5-16)15-26-32(29,30)20-11-12-20/h1-10,13-14,20,23,26H,11-12,15H2,(H,27,28)/t23-/m0/s1
InChIKeyNDTRUZRDDCWEKK-QHCPKHFHSA-N
MW451.52 g/mol
LogP4.57
Rot. Bonds8

About N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide

N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide (PubChem CID 69022016) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide
PubChem CID69022016
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@H](Oc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccccc1)C1CC1
InChIInChI=1S/C24H22FN3O3S/c25-18-8-6-17(7-9-18)24-21-14-19(10-13-22(21)27-28-24)31-23(16-4-2-1-3-5-16)15-26-32(29,30)20-11-12-20/h1-10,13-14,20,23,26H,11-12,15H2,(H,27,28)/t23-/m0/s1
InChIKeyNDTRUZRDDCWEKK-QHCPKHFHSA-N
XLogP4.57
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide (CID 69022016) is N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide is O=S(=O)(NC[C@H](Oc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)c1ccccc1)C1CC1.
What is the InChIKey of N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide?
The InChIKey is NDTRUZRDDCWEKK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c25-18-8-6-17(7-9-18)24-21-14-19(10-13-22(21)27-28-24)31-23(16-4-2-1-3-5-16)15-26-32(29,30)20-11-12-20/h1-10,13-14,20,23,26H,11-12,15H2,(H,27,28)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide?
N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide has a molecular weight of 451.52 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]-2-phenylethyl]cyclopropanesulfonamide is sourced from PubChem (CID 69022016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).