carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium

C9H11F2NO3SY-2 — CID 58436419

IUPACcarbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1ccc(OC(F)F)cc1.[CH3-].[Y]
InChIInChI=1S/C8H8F2NO3S.CH3.Y/c1-11-15(12,13)7-4-2-6(3-5-7)14-8(9)10;;/h2-5,8H,1H3;1H3;/q2*-1;
InChIKeyBUIXODWGXRYXJD-UHFFFAOYSA-N
MW340.16 g/mol
LogP2.43
Rot. Bonds4

About carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium

carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium (PubChem CID 58436419) has the molecular formula C9H11F2NO3SY-2 and a molecular weight of 340.16 g/mol. Its IUPAC name is carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium.

Molecular Properties

Compound Namecarbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium
PubChem CID58436419
Molecular FormulaC9H11F2NO3SY-2
Molecular Weight340.16 g/mol
Exact Mass339.95
IUPAC Namecarbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1ccc(OC(F)F)cc1.[CH3-].[Y]
InChIInChI=1S/C8H8F2NO3S.CH3.Y/c1-11-15(12,13)7-4-2-6(3-5-7)14-8(9)10;;/h2-5,8H,1H3;1H3;/q2*-1;
InChIKeyBUIXODWGXRYXJD-UHFFFAOYSA-N
XLogP2.43
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)benzenesulfonate
CID 150290603
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium
CID 58436422
N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide
CID 167775833
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene
CID 18337001
4-(difluoromethoxy)aniline
CID 737363
difluoromethoxybenzene;ethane
CID 142246454
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
1-(difluoromethoxy)-4-methylsulfinylbenzene;hydrate
CID 156822834
4-(difluoromethoxy)benzaldehyde
CID 2736986
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155

Frequently Asked Questions

What is the IUPAC name of carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium?
The IUPAC name of carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium (CID 58436419) is carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium.
What is the SMILES notation for carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium?
The canonical SMILES for carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium is C[N-]S(=O)(=O)c1ccc(OC(F)F)cc1.[CH3-].[Y].
What is the InChIKey of carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium?
The InChIKey is BUIXODWGXRYXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2NO3S.CH3.Y/c1-11-15(12,13)7-4-2-6(3-5-7)14-8(9)10;;/h2-5,8H,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium?
carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium has a molecular weight of 340.16 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium is sourced from PubChem (CID 58436419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).