CID 134805410

C23H21FN2O3S — CID 134805410

IUPAC—
SMILESC[S+](=O)([O-])CCn1ncc2cc(OCc3cccc(-c4ccc(F)cc4)c3)ccc21
InChIInChI=1S/C23H21FN2O3S/c1-30(27,28)12-11-26-23-10-9-22(14-20(23)15-25-26)29-16-17-3-2-4-19(13-17)18-5-7-21(24)8-6-18/h2-10,13-15H,11-12,16H2,1H3
InChIKeyBINVPVOJJYRANA-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.68
Rot. Bonds7

About CID 134805410

CID 134805410 (PubChem CID 134805410) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol.

Molecular Properties

Compound NameCID 134805410
PubChem CID134805410
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name—
SMILESC[S+](=O)([O-])CCn1ncc2cc(OCc3cccc(-c4ccc(F)cc4)c3)ccc21
InChIInChI=1S/C23H21FN2O3S/c1-30(27,28)12-11-26-23-10-9-22(14-20(23)15-25-26)29-16-17-3-2-4-19(13-17)18-5-7-21(24)8-6-18/h2-10,13-15H,11-12,16H2,1H3
InChIKeyBINVPVOJJYRANA-UHFFFAOYSA-N
XLogP4.68
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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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-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide
CID 134133225
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-phenylpropan-2-yl]-2-methylpropane-1-sulfonamide
CID 59786564
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-2-sulfonamide
CID 59786572
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pentane-1-sulfonamide
CID 59786577
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide
CID 59786587
1,6-Bis(4-propan-2-yloxyphenyl)indazole
CID 134179277

Frequently Asked Questions

What is the IUPAC name of CID 134805410?
The IUPAC name of CID 134805410 (CID 134805410) is not available.
What is the SMILES notation for CID 134805410?
The canonical SMILES for CID 134805410 is C[S+](=O)([O-])CCn1ncc2cc(OCc3cccc(-c4ccc(F)cc4)c3)ccc21.
What is the InChIKey of CID 134805410?
The InChIKey is BINVPVOJJYRANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-30(27,28)12-11-26-23-10-9-22(14-20(23)15-25-26)29-16-17-3-2-4-19(13-17)18-5-7-21(24)8-6-18/h2-10,13-15H,11-12,16H2,1H3.
What are the key properties of CID 134805410?
CID 134805410 has a molecular weight of 424.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134805410 is sourced from PubChem (CID 134805410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).