CID 164665653

C14H16BrO2S — CID 164665653

IUPAC—
SMILESO=S(=O)(/C(Br)=[C]/c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H16BrO2S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyMCXCAFMOYINWHC-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.82
Rot. Bonds3

About CID 164665653

CID 164665653 (PubChem CID 164665653) has the molecular formula C14H16BrO2S and a molecular weight of 328.25 g/mol.

Molecular Properties

Compound NameCID 164665653
PubChem CID164665653
Molecular FormulaC14H16BrO2S
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name—
SMILESO=S(=O)(/C(Br)=[C]/c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H16BrO2S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKeyMCXCAFMOYINWHC-UHFFFAOYSA-N
XLogP3.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 164665653?
The IUPAC name of CID 164665653 (CID 164665653) is not available.
What is the SMILES notation for CID 164665653?
The canonical SMILES for CID 164665653 is O=S(=O)(/C(Br)=[C]/c1ccccc1)C1CCCCC1.
What is the InChIKey of CID 164665653?
The InChIKey is MCXCAFMOYINWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrO2S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-10H2.
What are the key properties of CID 164665653?
CID 164665653 has a molecular weight of 328.25 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164665653 is sourced from PubChem (CID 164665653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).