N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C25H26FN3O3S — CID 16666385

IUPACN-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C25H26FN3O3S/c1-16-12-17(2)25(18(3)13-16)33(30,31)28-19(4)15-32-24-7-5-6-23-22(24)14-27-29(23)21-10-8-20(26)9-11-21/h5-14,19,28H,15H2,1-4H3/t19-/m0/s1
InChIKeySUTGKZMAEPWILY-IBGZPJMESA-N
MW467.57 g/mol
LogP4.84
Rot. Bonds7

About N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 16666385) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID16666385
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C25H26FN3O3S/c1-16-12-17(2)25(18(3)13-16)33(30,31)28-19(4)15-32-24-7-5-6-23-22(24)14-27-29(23)21-10-8-20(26)9-11-21/h5-14,19,28H,15H2,1-4H3/t19-/m0/s1
InChIKeySUTGKZMAEPWILY-IBGZPJMESA-N
XLogP4.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 16666385) is N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is SUTGKZMAEPWILY-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26FN3O3S/c1-16-12-17(2)25(18(3)13-16)33(30,31)28-19(4)15-32-24-7-5-6-23-22(24)14-27-29(23)21-10-8-20(26)9-11-21/h5-14,19,28H,15H2,1-4H3/t19-/m0/s1.
What are the key properties of N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 467.57 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 16666385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).