carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium

C8H9ClFNO2SY-2 — CID 58436484

IUPACcarbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1c(F)cccc1Cl.[CH3-].[Y]
InChIInChI=1S/C7H6ClFNO2S.CH3.Y/c1-10-13(11,12)7-5(8)3-2-4-6(7)9;;/h2-4H,1H3;1H3;/q2*-1;
InChIKeyWPWNJHHPSUKLAI-UHFFFAOYSA-N
MW326.59 g/mol
LogP2.62
Rot. Bonds2

About carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium

carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium (PubChem CID 58436484) has the molecular formula C8H9ClFNO2SY-2 and a molecular weight of 326.59 g/mol. Its IUPAC name is carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium.

Molecular Properties

Compound Namecarbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium
PubChem CID58436484
Molecular FormulaC8H9ClFNO2SY-2
Molecular Weight326.59 g/mol
Exact Mass325.91
IUPAC Namecarbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1c(F)cccc1Cl.[CH3-].[Y]
InChIInChI=1S/C7H6ClFNO2S.CH3.Y/c1-10-13(11,12)7-5(8)3-2-4-6(7)9;;/h2-4H,1H3;1H3;/q2*-1;
InChIKeyWPWNJHHPSUKLAI-UHFFFAOYSA-N
XLogP2.62
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.59
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium?
The IUPAC name of carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium (CID 58436484) is carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium.
What is the SMILES notation for carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium?
The canonical SMILES for carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium is C[N-]S(=O)(=O)c1c(F)cccc1Cl.[CH3-].[Y].
What is the InChIKey of carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium?
The InChIKey is WPWNJHHPSUKLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFNO2S.CH3.Y/c1-10-13(11,12)7-5(8)3-2-4-6(7)9;;/h2-4H,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium?
carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium has a molecular weight of 326.59 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2-chloro-6-fluorophenyl)sulfonyl-methylazanide;yttrium is sourced from PubChem (CID 58436484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).