N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide

C26H28FN3O3S — CID 59786587

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H28FN3O3S/c1-4-18(2)34(31,32)29-19(3)26(20-8-6-5-7-9-20)33-24-14-15-25-21(16-24)17-28-30(25)23-12-10-22(27)11-13-23/h5-19,26,29H,4H2,1-3H3/t18?,19-,26-/m0/s1
InChIKeyQOQFHZCQTSLCMQ-BVIFZPFNSA-N
MW481.59 g/mol
LogP5.39
Rot. Bonds9

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide (PubChem CID 59786587) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide
PubChem CID59786587
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H28FN3O3S/c1-4-18(2)34(31,32)29-19(3)26(20-8-6-5-7-9-20)33-24-14-15-25-21(16-24)17-28-30(25)23-12-10-22(27)11-13-23/h5-19,26,29H,4H2,1-3H3/t18?,19-,26-/m0/s1
InChIKeyQOQFHZCQTSLCMQ-BVIFZPFNSA-N
XLogP5.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-phenylpropan-2-yl]butane-2-sulfonamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide (CID 59786587) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide is CCC(C)S(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide?
The InChIKey is QOQFHZCQTSLCMQ-BVIFZPFNSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-4-18(2)34(31,32)29-19(3)26(20-8-6-5-7-9-20)33-24-14-15-25-21(16-24)17-28-30(25)23-12-10-22(27)11-13-23/h5-19,26,29H,4H2,1-3H3/t18?,19-,26-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide has a molecular weight of 481.59 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide is sourced from PubChem (CID 59786587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).