CID 134807809

C23H22N2O4S — CID 134807809

IUPAC—
SMILESC[S+](=O)([O-])CCn1ncc2cc(OCc3cccc(-c4cccc(O)c4)c3)ccc21
InChIInChI=1S/C23H22N2O4S/c1-30(27,28)11-10-25-23-9-8-22(14-20(23)15-24-25)29-16-17-4-2-5-18(12-17)19-6-3-7-21(26)13-19/h2-9,12-15H,10-11,16H2,1H3,(H-,26,27,28)
InChIKeySHPQNIBIZVHXTB-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.25
Rot. Bonds7

About CID 134807809

CID 134807809 (PubChem CID 134807809) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol.

Molecular Properties

Compound NameCID 134807809
PubChem CID134807809
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name—
SMILESC[S+](=O)([O-])CCn1ncc2cc(OCc3cccc(-c4cccc(O)c4)c3)ccc21
InChIInChI=1S/C23H22N2O4S/c1-30(27,28)11-10-25-23-9-8-22(14-20(23)15-24-25)29-16-17-4-2-5-18(12-17)19-6-3-7-21(26)13-19/h2-9,12-15H,10-11,16H2,1H3,(H-,26,27,28)
InChIKeySHPQNIBIZVHXTB-UHFFFAOYSA-N
XLogP4.25
TPSA87.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenyl-propan-2-yl]propane-1-sulfonamide
CID 24953163
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
5-(3-Ethoxyphenyl)-1-(4-fluorophenyl)indazole
CID 46830801
3-[5-[[4-(2-Fluoro-6-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134805022
CID 134805410
CID 134805410
3-[5-[[4-(5-Fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134805418
3-[5-[[4-(4-Fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134806052
CID 134807298
CID 134807298

Frequently Asked Questions

What is the IUPAC name of CID 134807809?
The IUPAC name of CID 134807809 (CID 134807809) is not available.
What is the SMILES notation for CID 134807809?
The canonical SMILES for CID 134807809 is C[S+](=O)([O-])CCn1ncc2cc(OCc3cccc(-c4cccc(O)c4)c3)ccc21.
What is the InChIKey of CID 134807809?
The InChIKey is SHPQNIBIZVHXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-30(27,28)11-10-25-23-9-8-22(14-20(23)15-24-25)29-16-17-4-2-5-18(12-17)19-6-3-7-21(26)13-19/h2-9,12-15H,10-11,16H2,1H3,(H-,26,27,28).
What are the key properties of CID 134807809?
CID 134807809 has a molecular weight of 422.51 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134807809 is sourced from PubChem (CID 134807809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).