N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide

C25H23FN4O3S — CID 24999289

IUPACN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide
SMILESC[C@@H](COc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C25H23FN4O3S/c1-17(28-34(31,32)23-8-10-24-18(14-23)11-12-29(24)2)16-33-22-7-9-25-19(13-22)15-27-30(25)21-5-3-20(26)4-6-21/h3-15,17,28H,16H2,1-2H3/t17-/m0/s1
InChIKeyRVXSESUVXUZZKB-KRWDZBQOSA-N
MW478.55 g/mol
LogP4.40
Rot. Bonds7

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

N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide (PubChem CID 24999289) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide
PubChem CID24999289
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC NameN-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide
SMILESC[C@@H](COc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C25H23FN4O3S/c1-17(28-34(31,32)23-8-10-24-18(14-23)11-12-29(24)2)16-33-22-7-9-25-19(13-22)15-27-30(25)21-5-3-20(26)4-6-21/h3-15,17,28H,16H2,1-2H3/t17-/m0/s1
InChIKeyRVXSESUVXUZZKB-KRWDZBQOSA-N
XLogP4.40
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide?
The IUPAC name of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide (CID 24999289) is N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide.
What is the SMILES notation for N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide?
The canonical SMILES for N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide is C[C@@H](COc1ccc2c(cnn2-c2ccc(F)cc2)c1)NS(=O)(=O)c1ccc2c(ccn2C)c1.
What is the InChIKey of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide?
The InChIKey is RVXSESUVXUZZKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-17(28-34(31,32)23-8-10-24-18(14-23)11-12-29(24)2)16-33-22-7-9-25-19(13-22)15-27-30(25)21-5-3-20(26)4-6-21/h3-15,17,28H,16H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide?
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide has a molecular weight of 478.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-1-methylindole-5-sulfonamide is sourced from PubChem (CID 24999289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).