CID 134792058

C14H14F3NO2S2 — CID 134792058

IUPAC—
SMILESCC(c1cccs1)N(C)[S+](=O)([O-])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO2S2/c1-10(13-7-4-8-21-13)18(2)22(19,20)12-6-3-5-11(9-12)14(15,16)17/h3-10H,1-2H3
InChIKeyHHCLCJVBKYUAEX-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.36
Rot. Bonds4

About CID 134792058

CID 134792058 (PubChem CID 134792058) has the molecular formula C14H14F3NO2S2 and a molecular weight of 349.40 g/mol.

Molecular Properties

Compound NameCID 134792058
PubChem CID134792058
Molecular FormulaC14H14F3NO2S2
Molecular Weight349.40 g/mol
Exact Mass349.04
IUPAC Name—
SMILESCC(c1cccs1)N(C)[S+](=O)([O-])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO2S2/c1-10(13-7-4-8-21-13)18(2)22(19,20)12-6-3-5-11(9-12)14(15,16)17/h3-10H,1-2H3
InChIKeyHHCLCJVBKYUAEX-UHFFFAOYSA-N
XLogP4.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134792058?
The IUPAC name of CID 134792058 (CID 134792058) is not available.
What is the SMILES notation for CID 134792058?
The canonical SMILES for CID 134792058 is CC(c1cccs1)N(C)[S+](=O)([O-])c1cccc(C(F)(F)F)c1.
What is the InChIKey of CID 134792058?
The InChIKey is HHCLCJVBKYUAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2S2/c1-10(13-7-4-8-21-13)18(2)22(19,20)12-6-3-5-11(9-12)14(15,16)17/h3-10H,1-2H3.
What are the key properties of CID 134792058?
CID 134792058 has a molecular weight of 349.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134792058 is sourced from PubChem (CID 134792058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).