carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium

C141H227N8O12S4Yb5-5 — CID 158875145

IUPACcarbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1cc2ccccc2cn1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccc2ccccc2n1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2c1CCCC2.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Yb].[Yb].[Yb].[Yb].[Yb]
InChIInChI=1S/2C22H16N2O3S.C22H20N2O3S.C22H16N2O3S.24C2H6.5CH3.5Yb/c25-22(21-15-14-16-8-4-6-12-19(16)23-21)18-11-5-7-13-20(18)24-28(26,27)17-9-2-1-3-10-17;25-22(21-14-16-8-4-5-9-17(16)15-23-21)19-12-6-7-13-20(19)24-28(26,27)18-10-2-1-3-11-18;2*25-22(21-18-11-5-4-8-16(18)14-15-23-21)19-12-6-7-13-20(19)24-28(26,27)17-9-2-1-3-10-17;24*1-2;;;;;;;;;;/h2*1-15,24H;1-3,6-7,9-10,12-15,24H,4-5,8,11H2;1-15,24H;24*1-2H3;5*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-1;;;;;
InChIKeyJDUACCCIVHYVKR-UHFFFAOYSA-N
MW3219.88 g/mol
LogP43.67
Rot. Bonds20

About carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium

carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium (PubChem CID 158875145) has the molecular formula C141H227N8O12S4Yb5-5 and a molecular weight of 3219.88 g/mol. Its IUPAC name is carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium.

Molecular Properties

Compound Namecarbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium
PubChem CID158875145
Molecular FormulaC141H227N8O12S4Yb5-5
Molecular Weight3219.88 g/mol
Exact Mass3222.33
IUPAC Namecarbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1cc2ccccc2cn1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccc2ccccc2n1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2c1CCCC2.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Yb].[Yb].[Yb].[Yb].[Yb]
InChIInChI=1S/2C22H16N2O3S.C22H20N2O3S.C22H16N2O3S.24C2H6.5CH3.5Yb/c25-22(21-15-14-16-8-4-6-12-19(16)23-21)18-11-5-7-13-20(18)24-28(26,27)17-9-2-1-3-10-17;25-22(21-14-16-8-4-5-9-17(16)15-23-21)19-12-6-7-13-20(19)24-28(26,27)18-10-2-1-3-11-18;2*25-22(21-18-11-5-4-8-16(18)14-15-23-21)19-12-6-7-13-20(19)24-28(26,27)17-9-2-1-3-10-17;24*1-2;;;;;;;;;;/h2*1-15,24H;1-3,6-7,9-10,12-15,24H,4-5,8,11H2;1-15,24H;24*1-2H3;5*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-1;;;;;
InChIKeyJDUACCCIVHYVKR-UHFFFAOYSA-N
XLogP43.67
TPSA304.52 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003219.88
LogP ≤ 543.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium with MolForge

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Related Compounds

Toluene sulfonyl ethylenediamino isosampangine
CID 46854491
N-[2-(4-ethyl-3-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)
CID 57749766
N-[2-(quinoline-8-carbonyl)phenyl]benzenesulfonamide
CID 58883565
N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide
CID 58883574
N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 59788536
N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide
CID 59788597
N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
CID 59788647
N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
CID 59788664
N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)
CID 59788669
N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide
CID 59788709
N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 59788716
N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide
CID 59788748

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The IUPAC name of carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium (CID 158875145) is carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium.
What is the SMILES notation for carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The canonical SMILES for carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1cc2ccccc2cn1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccc2ccccc2n1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2c1CCCC2.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccccc12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Yb].[Yb].[Yb].[Yb].[Yb].
What is the InChIKey of carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The InChIKey is JDUACCCIVHYVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2O3S.C22H20N2O3S.C22H16N2O3S.24C2H6.5CH3.5Yb/c25-22(21-15-14-16-8-4-6-12-19(16)23-21)18-11-5-7-13-20(18)24-28(26,27)17-9-2-1-3-10-17;25-22(21-14-16-8-4-5-9-17(16)15-23-21)19-12-6-7-13-20(19)24-28(26,27)18-10-2-1-3-11-18;2*25-22(21-18-11-5-4-8-16(18)14-15-23-21)19-12-6-7-13-20(19)24-28(26,27)17-9-2-1-3-10-17;24*1-2;;;;;;;;;;/h2*1-15,24H;1-3,6-7,9-10,12-15,24H,4-5,8,11H2;1-15,24H;24*1-2H3;5*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-1;;;;;.
What are the key properties of carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium?
carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium has a molecular weight of 3219.88 g/mol, XLogP of 43.67, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;N-[2-(isoquinoline-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(isoquinoline-3-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)phenyl]benzenesulfonamide;ytterbium is sourced from PubChem (CID 158875145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).