N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide

C26H26FN3O4S — CID 134133225

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide
SMILESCOc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C26H26FN3O4S/c1-17(29-35(31,32)24-11-12-24)26(18-4-3-5-22(14-18)33-2)34-23-10-13-25-19(15-23)16-28-30(25)21-8-6-20(27)7-9-21/h3-10,13-17,24,26,29H,11-12H2,1-2H3/t17-,26-/m0/s1
InChIKeyDJEKOYRJPGXCQB-QLXKLKPCSA-N
MW495.58 g/mol
LogP4.76
Rot. Bonds9

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide (PubChem CID 134133225) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide
PubChem CID134133225
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide
SMILESCOc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C26H26FN3O4S/c1-17(29-35(31,32)24-11-12-24)26(18-4-3-5-22(14-18)33-2)34-23-10-13-25-19(15-23)16-28-30(25)21-8-6-20(27)7-9-21/h3-10,13-17,24,26,29H,11-12H2,1-2H3/t17-,26-/m0/s1
InChIKeyDJEKOYRJPGXCQB-QLXKLKPCSA-N
XLogP4.76
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide (CID 134133225) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide is COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NS(=O)(=O)C2CC2)c1.
What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide?
The InChIKey is DJEKOYRJPGXCQB-QLXKLKPCSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-17(29-35(31,32)24-11-12-24)26(18-4-3-5-22(14-18)33-2)34-23-10-13-25-19(15-23)16-28-30(25)21-8-6-20(27)7-9-21/h3-10,13-17,24,26,29H,11-12H2,1-2H3/t17-,26-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide has a molecular weight of 495.58 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 134133225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).