carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium

C22H20N2O3SY-2 — CID 59725843

IUPACcarbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium
SMILES[CH3-].[NH-]C(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.[Y]
InChIInChI=1S/C21H18N2O3S.CH3.Y/c22-21(24)20-14-17-8-4-5-9-19(17)23(20)27(25,26)18-12-10-16(11-13-18)15-6-2-1-3-7-15;;/h1-13,20H,14H2,(H2,22,24);1H3;/q;-1;/p-1
InChIKeyXXKLQGJESXIANN-UHFFFAOYSA-M
MW481.39 g/mol
LogP4.50
Rot. Bonds4

About carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium

carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium (PubChem CID 59725843) has the molecular formula C22H20N2O3SY-2 and a molecular weight of 481.39 g/mol. Its IUPAC name is carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium.

Molecular Properties

Compound Namecarbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium
PubChem CID59725843
Molecular FormulaC22H20N2O3SY-2
Molecular Weight481.39 g/mol
Exact Mass481.03
IUPAC Namecarbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium
SMILES[CH3-].[NH-]C(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.[Y]
InChIInChI=1S/C21H18N2O3S.CH3.Y/c22-21(24)20-14-17-8-4-5-9-19(17)23(20)27(25,26)18-12-10-16(11-13-18)15-6-2-1-3-7-15;;/h1-13,20H,14H2,(H2,22,24);1H3;/q;-1;/p-1
InChIKeyXXKLQGJESXIANN-UHFFFAOYSA-M
XLogP4.50
TPSA78.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 54.50
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

(2S)-1-[4-(3-chlorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69208495
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
CID 10519271
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 67437069
(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845806
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69213394
N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
CID 18714977
4-[2-[[(2S)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-2,3-dihydroindole-2-carbonyl]amino]ethyl]benzoic acid
CID 69213495
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512

Frequently Asked Questions

What is the IUPAC name of carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium?
The IUPAC name of carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium (CID 59725843) is carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium.
What is the SMILES notation for carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium?
The canonical SMILES for carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium is [CH3-].[NH-]C(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.[Y].
What is the InChIKey of carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium?
The InChIKey is XXKLQGJESXIANN-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H18N2O3S.CH3.Y/c22-21(24)20-14-17-8-4-5-9-19(17)23(20)27(25,26)18-12-10-16(11-13-18)15-6-2-1-3-7-15;;/h1-13,20H,14H2,(H2,22,24);1H3;/q;-1;/p-1.
What are the key properties of carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium?
carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium has a molecular weight of 481.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium is sourced from PubChem (CID 59725843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).