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

C28H30FN3O3S — CID 59786562

IUPAC1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)CC1CCCC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C28H30FN3O3S/c1-20(31-36(33,34)19-21-7-5-6-8-21)28(22-9-3-2-4-10-22)35-26-15-16-27-23(17-26)18-30-32(27)25-13-11-24(29)12-14-25/h2-4,9-18,20-21,28,31H,5-8,19H2,1H3/t20-,28-/m0/s1
InChIKeyUCKRXPPTOFGZQP-MMTVBGGISA-N
MW507.63 g/mol
LogP5.78
Rot. Bonds9

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

1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide (PubChem CID 59786562) has the molecular formula C28H30FN3O3S and a molecular weight of 507.63 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
PubChem CID59786562
Molecular FormulaC28H30FN3O3S
Molecular Weight507.63 g/mol
Exact Mass507.20
IUPAC Name1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)CC1CCCC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C28H30FN3O3S/c1-20(31-36(33,34)19-21-7-5-6-8-21)28(22-9-3-2-4-10-22)35-26-15-16-27-23(17-26)18-30-32(27)25-13-11-24(29)12-14-25/h2-4,9-18,20-21,28,31H,5-8,19H2,1H3/t20-,28-/m0/s1
InChIKeyUCKRXPPTOFGZQP-MMTVBGGISA-N
XLogP5.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide (CID 59786562) is 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide is C[C@H](NS(=O)(=O)CC1CCCC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide?
The InChIKey is UCKRXPPTOFGZQP-MMTVBGGISA-N. The full InChI is InChI=1S/C28H30FN3O3S/c1-20(31-36(33,34)19-21-7-5-6-8-21)28(22-9-3-2-4-10-22)35-26-15-16-27-23(17-26)18-30-32(27)25-13-11-24(29)12-14-25/h2-4,9-18,20-21,28,31H,5-8,19H2,1H3/t20-,28-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide?
1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide has a molecular weight of 507.63 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 59786562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).