carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium

C10H13NO4SY-2 — CID 58436438

IUPACcarbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1cccc(C(=O)OC)c1.[CH3-].[Y]
InChIInChI=1S/C9H10NO4S.CH3.Y/c1-10-15(12,13)8-5-3-4-7(6-8)9(11)14-2;;/h3-6H,1-2H3;1H3;/q2*-1;
InChIKeyCGAKTKQRMYIGCG-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.61
Rot. Bonds3

About carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium

carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium (PubChem CID 58436438) has the molecular formula C10H13NO4SY-2 and a molecular weight of 332.19 g/mol. Its IUPAC name is carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium.

Molecular Properties

Compound Namecarbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium
PubChem CID58436438
Molecular FormulaC10H13NO4SY-2
Molecular Weight332.19 g/mol
Exact Mass331.96
IUPAC Namecarbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1cccc(C(=O)OC)c1.[CH3-].[Y]
InChIInChI=1S/C9H10NO4S.CH3.Y/c1-10-15(12,13)8-5-3-4-7(6-8)9(11)14-2;;/h3-6H,1-2H3;1H3;/q2*-1;
InChIKeyCGAKTKQRMYIGCG-UHFFFAOYSA-N
XLogP1.61
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-methylsulfonylbenzoate
CID 6432252
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
CID 70265363
CID 70265363
methyl 3-(methoxymethylsulfonyl)benzoate
CID 170742316
methyl 3-(3-methoxycarbonylphenyl)sulfonyloxybenzoate
CID 31758187
CID 159558349
CID 159558349
methyl 3-(2-methylpropylsulfonyl)benzoate
CID 118342719
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
methyl 3-pyridin-2-ylsulfonylbenzoate
CID 66872637
methyl 3-(2,2,2-trifluoroethylsulfonyl)benzoate
CID 71932078
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate
CID 118061370

Frequently Asked Questions

What is the IUPAC name of carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium?
The IUPAC name of carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium (CID 58436438) is carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium.
What is the SMILES notation for carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium?
The canonical SMILES for carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium is C[N-]S(=O)(=O)c1cccc(C(=O)OC)c1.[CH3-].[Y].
What is the InChIKey of carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium?
The InChIKey is CGAKTKQRMYIGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO4S.CH3.Y/c1-10-15(12,13)8-5-3-4-7(6-8)9(11)14-2;;/h3-6H,1-2H3;1H3;/q2*-1;.
What are the key properties of carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium?
carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium has a molecular weight of 332.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium is sourced from PubChem (CID 58436438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).