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

C26H24FN5O3S — CID 59786590

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cn(C)cn1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H24FN5O3S/c1-18(30-36(33,34)25-16-31(2)17-28-25)26(19-6-4-3-5-7-19)35-23-12-13-24-20(14-23)15-29-32(24)22-10-8-21(27)9-11-22/h3-18,26,30H,1-2H3/t18-,26-/m0/s1
InChIKeyAYEOCHZVHQUQQK-QYBDOPJKSA-N
MW505.58 g/mol
LogP4.39
Rot. Bonds8

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

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 59786590) has the molecular formula C26H24FN5O3S and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide
PubChem CID59786590
Molecular FormulaC26H24FN5O3S
Molecular Weight505.58 g/mol
Exact Mass505.16
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cn(C)cn1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H24FN5O3S/c1-18(30-36(33,34)25-16-31(2)17-28-25)26(19-6-4-3-5-7-19)35-23-12-13-24-20(14-23)15-29-32(24)22-10-8-21(27)9-11-22/h3-18,26,30H,1-2H3/t18-,26-/m0/s1
InChIKeyAYEOCHZVHQUQQK-QYBDOPJKSA-N
XLogP4.39
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide (CID 59786590) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide is C[C@H](NS(=O)(=O)c1cn(C)cn1)[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]-1-methylimidazole-4-sulfonamide?
The InChIKey is AYEOCHZVHQUQQK-QYBDOPJKSA-N. The full InChI is InChI=1S/C26H24FN5O3S/c1-18(30-36(33,34)25-16-31(2)17-28-25)26(19-6-4-3-5-7-19)35-23-12-13-24-20(14-23)15-29-32(24)22-10-8-21(27)9-11-22/h3-18,26,30H,1-2H3/t18-,26-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 505.58 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 59786590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).