N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide

C25H22FN5O3S — CID 24999901

IUPACN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESC[C@@H](COc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C25H22FN5O3S/c1-18(29-35(32,33)24-10-7-21(8-11-24)30-14-2-13-27-30)17-34-23-9-12-25-19(15-23)16-28-31(25)22-5-3-20(26)4-6-22/h2-16,18,29H,17H2,1H3/t18-/m0/s1
InChIKeyUNLVVSXESVVONP-SFHVURJKSA-N
MW491.55 g/mol
LogP4.10
Rot. Bonds8

About N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide

N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 24999901) has the molecular formula C25H22FN5O3S and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID24999901
Molecular FormulaC25H22FN5O3S
Molecular Weight491.55 g/mol
Exact Mass491.14
IUPAC NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESC[C@@H](COc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C25H22FN5O3S/c1-18(29-35(32,33)24-10-7-21(8-11-24)30-14-2-13-27-30)17-34-23-9-12-25-19(15-23)16-28-31(25)22-5-3-20(26)4-6-22/h2-16,18,29H,17H2,1H3/t18-/m0/s1
InChIKeyUNLVVSXESVVONP-SFHVURJKSA-N
XLogP4.10
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide (CID 24999901) is N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide is C[C@@H](COc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is UNLVVSXESVVONP-SFHVURJKSA-N. The full InChI is InChI=1S/C25H22FN5O3S/c1-18(29-35(32,33)24-10-7-21(8-11-24)30-14-2-13-27-30)17-34-23-9-12-25-19(15-23)16-28-31(25)22-5-3-20(26)4-6-22/h2-16,18,29H,17H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 491.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 24999901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).