CID 153389575

C23H27FNO2S- — CID 153389575

IUPAC—
SMILESCCCc1ccc(/[S-](=O)=N/C(=O)Cc2c(C(C)C)cc(F)cc2C2CC2)cc1
InChIInChI=1S/C23H27FNO2S/c1-4-5-16-6-10-19(11-7-16)28(27)25-23(26)14-22-20(15(2)3)12-18(24)13-21(22)17-8-9-17/h6-7,10-13,15,17H,4-5,8-9,14H2,1-3H3/q-1
InChIKeyPZOFQCAGZAMCHS-UHFFFAOYSA-N
MW400.54 g/mol
LogP6.05
Rot. Bonds7

About CID 153389575

CID 153389575 (PubChem CID 153389575) has the molecular formula C23H27FNO2S- and a molecular weight of 400.54 g/mol.

Molecular Properties

Compound NameCID 153389575
PubChem CID153389575
Molecular FormulaC23H27FNO2S-
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name—
SMILESCCCc1ccc(/[S-](=O)=N/C(=O)Cc2c(C(C)C)cc(F)cc2C2CC2)cc1
InChIInChI=1S/C23H27FNO2S/c1-4-5-16-6-10-19(11-7-16)28(27)25-23(26)14-22-20(15(2)3)12-18(24)13-21(22)17-8-9-17/h6-7,10-13,15,17H,4-5,8-9,14H2,1-3H3/q-1
InChIKeyPZOFQCAGZAMCHS-UHFFFAOYSA-N
XLogP6.05
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze CID 153389575 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 CID 153389575?
The IUPAC name of CID 153389575 (CID 153389575) is not available.
What is the SMILES notation for CID 153389575?
The canonical SMILES for CID 153389575 is CCCc1ccc(/[S-](=O)=N/C(=O)Cc2c(C(C)C)cc(F)cc2C2CC2)cc1.
What is the InChIKey of CID 153389575?
The InChIKey is PZOFQCAGZAMCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FNO2S/c1-4-5-16-6-10-19(11-7-16)28(27)25-23(26)14-22-20(15(2)3)12-18(24)13-21(22)17-8-9-17/h6-7,10-13,15,17H,4-5,8-9,14H2,1-3H3/q-1.
What are the key properties of CID 153389575?
CID 153389575 has a molecular weight of 400.54 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153389575 is sourced from PubChem (CID 153389575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).