N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide

C24H24FN3O3S — CID 24999592

IUPACN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N[C@@H](C)COc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C24H24FN3O3S/c1-16-10-17(2)12-23(11-16)32(29,30)27-18(3)15-31-22-8-9-24-19(13-22)14-26-28(24)21-6-4-20(25)5-7-21/h4-14,18,27H,15H2,1-3H3/t18-/m0/s1
InChIKeyNXHKXJWIGMXMHV-SFHVURJKSA-N
MW453.54 g/mol
LogP4.53
Rot. Bonds7

About N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide

N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide (PubChem CID 24999592) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide
PubChem CID24999592
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N[C@@H](C)COc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C24H24FN3O3S/c1-16-10-17(2)12-23(11-16)32(29,30)27-18(3)15-31-22-8-9-24-19(13-22)14-26-28(24)21-6-4-20(25)5-7-21/h4-14,18,27H,15H2,1-3H3/t18-/m0/s1
InChIKeyNXHKXJWIGMXMHV-SFHVURJKSA-N
XLogP4.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]cyclopropanesulfonamide
CID 24953162
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylsulfanylphenyl)propan-2-yl]cyclopropanesulfonamide
CID 24954947
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylsulfonylphenyl)propan-2-yl]cyclopropanesulfonamide
CID 24954951
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
CID 25013653
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide
CID 134133225
N-[(2S)-1-[1-(4-fluorophenyl)indazol-4-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16666385
N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16666470
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]propane-1-sulfonamide
CID 24953163
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
CID 24953166
1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
CID 24953513
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]acetamide
CID 25014203

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide (CID 24999592) is N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)N[C@@H](C)COc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is NXHKXJWIGMXMHV-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-16-10-17(2)12-23(11-16)32(29,30)27-18(3)15-31-22-8-9-24-19(13-22)14-26-28(24)21-6-4-20(25)5-7-21/h4-14,18,27H,15H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide?
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 453.54 g/mol, XLogP of 4.53, 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-5-yl]oxypropan-2-yl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 24999592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).