CID 101352009

C15H14F3NO3S+ — CID 101352009

IUPAC—
SMILES[O][S+](=O)(ON(Cc1ccccc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO3S/c16-15(17,18)23(20,21)22-19(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKeyLLYVYHSZNKRNQP-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.90
Rot. Bonds6

About CID 101352009

CID 101352009 (PubChem CID 101352009) has the molecular formula C15H14F3NO3S+ and a molecular weight of 345.34 g/mol.

Molecular Properties

Compound NameCID 101352009
PubChem CID101352009
Molecular FormulaC15H14F3NO3S+
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name—
SMILES[O][S+](=O)(ON(Cc1ccccc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO3S/c16-15(17,18)23(20,21)22-19(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKeyLLYVYHSZNKRNQP-UHFFFAOYSA-N
XLogP3.90
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 25013086
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3-(dibenzylamino)-2,2-difluoropropanal
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N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 59403785
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
CID 65173330
1-[2-[benzyl(methoxy)amino]phenyl]-2,2,2-trifluoroethanone
CID 174618366
benzyl N,N-dibenzylsulfamate
CID 22184355
O-(dibenzylamino) carbamothioate
CID 175100548

Frequently Asked Questions

What is the IUPAC name of CID 101352009?
The IUPAC name of CID 101352009 (CID 101352009) is not available.
What is the SMILES notation for CID 101352009?
The canonical SMILES for CID 101352009 is [O][S+](=O)(ON(Cc1ccccc1)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of CID 101352009?
The InChIKey is LLYVYHSZNKRNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c16-15(17,18)23(20,21)22-19(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+1.
What are the key properties of CID 101352009?
CID 101352009 has a molecular weight of 345.34 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101352009 is sourced from PubChem (CID 101352009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).