CID 166160926

C12H15AlF3N3O4S — CID 166160926

IUPAC—
SMILESCc1nn(S(C)(=O)=O)cc1NC(=O)[C@H]1O[C@](C)(C(F)(F)F)C[C@@H]1[Al]
InChIInChI=1S/C12H15F3N3O4S.Al/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15;/h4,6,9H,5H2,1-3H3,(H,16,19);/t9-,11-;/m0./s1
InChIKeyHENXUSOJBMGXEG-ROLPUNSJSA-N
MW381.31 g/mol
LogP1.00
Rot. Bonds3

About CID 166160926

CID 166160926 (PubChem CID 166160926) has the molecular formula C12H15AlF3N3O4S and a molecular weight of 381.31 g/mol.

Molecular Properties

Compound NameCID 166160926
PubChem CID166160926
Molecular FormulaC12H15AlF3N3O4S
Molecular Weight381.31 g/mol
Exact Mass381.06
IUPAC Name—
SMILESCc1nn(S(C)(=O)=O)cc1NC(=O)[C@H]1O[C@](C)(C(F)(F)F)C[C@@H]1[Al]
InChIInChI=1S/C12H15F3N3O4S.Al/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15;/h4,6,9H,5H2,1-3H3,(H,16,19);/t9-,11-;/m0./s1
InChIKeyHENXUSOJBMGXEG-ROLPUNSJSA-N
XLogP1.00
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 166160926?
The IUPAC name of CID 166160926 (CID 166160926) is not available.
What is the SMILES notation for CID 166160926?
The canonical SMILES for CID 166160926 is Cc1nn(S(C)(=O)=O)cc1NC(=O)[C@H]1O[C@](C)(C(F)(F)F)C[C@@H]1[Al].
What is the InChIKey of CID 166160926?
The InChIKey is HENXUSOJBMGXEG-ROLPUNSJSA-N. The full InChI is InChI=1S/C12H15F3N3O4S.Al/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15;/h4,6,9H,5H2,1-3H3,(H,16,19);/t9-,11-;/m0./s1.
What are the key properties of CID 166160926?
CID 166160926 has a molecular weight of 381.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166160926 is sourced from PubChem (CID 166160926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).