N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide

C27H23FN4O3S — CID 66687701

IUPACN-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccnc1)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C27H23FN4O3S/c1-19(31-36(33,34)25-8-5-15-29-18-25)27(20-6-3-2-4-7-20)35-24-13-14-26-21(16-24)17-30-32(26)23-11-9-22(28)10-12-23/h2-19,27,31H,1H3/t19-,27+/m0/s1
InChIKeyVPEKNOHGZCOHOJ-UZTOHYMASA-N
MW502.57 g/mol
LogP5.05
Rot. Bonds8

About N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide

N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66687701) has the molecular formula C27H23FN4O3S and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide
PubChem CID66687701
Molecular FormulaC27H23FN4O3S
Molecular Weight502.57 g/mol
Exact Mass502.15
IUPAC NameN-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccnc1)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C27H23FN4O3S/c1-19(31-36(33,34)25-8-5-15-29-18-25)27(20-6-3-2-4-7-20)35-24-13-14-26-21(16-24)17-30-32(26)23-11-9-22(28)10-12-23/h2-19,27,31H,1H3/t19-,27+/m0/s1
InChIKeyVPEKNOHGZCOHOJ-UZTOHYMASA-N
XLogP5.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-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-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide (CID 66687701) is N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1cccnc1)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is VPEKNOHGZCOHOJ-UZTOHYMASA-N. The full InChI is InChI=1S/C27H23FN4O3S/c1-19(31-36(33,34)25-8-5-15-29-18-25)27(20-6-3-2-4-7-20)35-24-13-14-26-21(16-24)17-30-32(26)23-11-9-22(28)10-12-23/h2-19,27,31H,1H3/t19-,27+/m0/s1.
What are the key properties of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide?
N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 502.57 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66687701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).