carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium

C10H11NO4SY-2 — CID 58436481

IUPACcarbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium
SMILESC[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2.[CH3-].[Y]
InChIInChI=1S/C9H8NO4S.CH3.Y/c1-10-15(12,13)7-3-2-6-5-14-9(11)8(6)4-7;;/h2-4H,5H2,1H3;1H3;/q2*-1;
InChIKeyHJLCEALEYQYDAA-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.50
Rot. Bonds2

About carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium

carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium (PubChem CID 58436481) has the molecular formula C10H11NO4SY-2 and a molecular weight of 330.17 g/mol. Its IUPAC name is carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium.

Molecular Properties

Compound Namecarbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium
PubChem CID58436481
Molecular FormulaC10H11NO4SY-2
Molecular Weight330.17 g/mol
Exact Mass329.95
IUPAC Namecarbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium
SMILESC[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2.[CH3-].[Y]
InChIInChI=1S/C9H8NO4S.CH3.Y/c1-10-15(12,13)7-3-2-6-5-14-9(11)8(6)4-7;;/h2-4H,5H2,1H3;1H3;/q2*-1;
InChIKeyHJLCEALEYQYDAA-UHFFFAOYSA-N
XLogP1.50
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.50
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

6-methylsulfonyl-3H-2-benzofuran-1-one;3-oxo-1H-2-benzofuran-5-sulfonyl chloride
CID 138472758
N-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
6-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3H-2-benzofuran-1-one
CID 129336647
sodium;3H-2-benzofuran-1-one;chloride
CID 174937502
3H-2-benzofuran-1-one;ethane
CID 90991348
6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride
CID 167718187
4-(3-oxo-1H-2-benzofuran-5-yl)but-3-enoic acid
CID 170483721
6-(prop-2-ynylamino)-3H-2-benzofuran-1-one
CID 130617302
2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
CID 3264977
3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide
CID 129000256
1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059423
6-(1-hydroxybutyl)-3H-2-benzofuran-1-one
CID 18332198

Frequently Asked Questions

What is the IUPAC name of carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium?
The IUPAC name of carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium (CID 58436481) is carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium.
What is the SMILES notation for carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium?
The canonical SMILES for carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium is C[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2.[CH3-].[Y].
What is the InChIKey of carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium?
The InChIKey is HJLCEALEYQYDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO4S.CH3.Y/c1-10-15(12,13)7-3-2-6-5-14-9(11)8(6)4-7;;/h2-4H,5H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium?
carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium has a molecular weight of 330.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium is sourced from PubChem (CID 58436481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).