CID 134808769

C23H29N3O3S — CID 134808769

IUPAC—
SMILESC[S+](=O)([O-])CCn1ncc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H29N3O3S/c1-30(27,28)14-13-26-23-8-7-22(15-21(23)16-24-26)29-18-20-9-11-25(12-10-20)17-19-5-3-2-4-6-19/h2-8,15-16,20H,9-14,17-18H2,1H3
InChIKeyGPPAMMMONXPYBV-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.59
Rot. Bonds8

About CID 134808769

CID 134808769 (PubChem CID 134808769) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol.

Molecular Properties

Compound NameCID 134808769
PubChem CID134808769
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name—
SMILESC[S+](=O)([O-])CCn1ncc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H29N3O3S/c1-30(27,28)14-13-26-23-8-7-22(15-21(23)16-24-26)29-18-20-9-11-25(12-10-20)17-19-5-3-2-4-6-19/h2-8,15-16,20H,9-14,17-18H2,1H3
InChIKeyGPPAMMMONXPYBV-UHFFFAOYSA-N
XLogP3.59
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
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

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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
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
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CID 59786587
6-(1,3-dimethylindazol-5-yl)oxy-N-methyl-N-prop-2-enylhexan-1-amine
CID 44427946
(2S)-4-[(1-methylindazol-5-yl)methyl]-2-(phenoxymethyl)morpholine
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CID 134805410
CID 134805410
CID 134807298
CID 134807298

Frequently Asked Questions

What is the IUPAC name of CID 134808769?
The IUPAC name of CID 134808769 (CID 134808769) is not available.
What is the SMILES notation for CID 134808769?
The canonical SMILES for CID 134808769 is C[S+](=O)([O-])CCn1ncc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of CID 134808769?
The InChIKey is GPPAMMMONXPYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-30(27,28)14-13-26-23-8-7-22(15-21(23)16-24-26)29-18-20-9-11-25(12-10-20)17-19-5-3-2-4-6-19/h2-8,15-16,20H,9-14,17-18H2,1H3.
What are the key properties of CID 134808769?
CID 134808769 has a molecular weight of 427.57 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134808769 is sourced from PubChem (CID 134808769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).