Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium
C140H212N10O17S5Yb2-2 — CID 159601408
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACcarbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2cccc(C)n2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2cccc[n+]2[O-])cc1.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2ncccc2C)cc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc[n+]1[O-].O=C(c1ccccn1)c1ccccc1NS(=O)(=O)c1ccccc1.[CH3-].[CH3-].[Yb].[Yb]
InChIInChI=1S/2C21H20N2O3S.C20H18N2O4S.C18H14N2O4S.C18H14N2O3S.20C2H6.2CH3.2Yb/c1-14-6-9-17(10-7-14)27(25,26)23-19-11-8-15(2)13-18(19)21(24)20-16(3)5-4-12-22-20;1-14-7-10-17(11-8-14)27(25,26)23-19-12-9-15(2)13-18(19)21(24)20-6-4-5-16(3)22-20;1-14-6-9-16(10-7-14)27(25,26)21-18-11-8-15(2)13-17(18)20(23)19-5-3-4-12-22(19)24;21-18(17-12-6-7-13-20(17)22)15-10-4-5-11-16(15)19-25(23,24)14-8-2-1-3-9-14;21-18(17-12-6-7-13-19-17)15-10-4-5-11-16(15)20-24(22,23)14-8-2-1-3-9-14;20*1-2;;;;/h2*4-13,23H,1-3H3;3-13,21H,1-2H3;1-13,19H;1-13,20H;20*1-2H3;2*1H3;;/q;;;;;;;;;;;;;;;;;;;;;;;;;2*-1;;
InChIKeyNWEINZZMQCDTCG-UHFFFAOYSA-N
MW2813.70 g/mol
LogP37.94
Rot. Bonds25
About Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium
Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium (PubChem CID 159601408) has the molecular formula C140H212N10O17S5Yb2-2 and a molecular weight of 2813.70 g/mol. Its IUPAC name is carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium.
Molecular Properties
| Compound Name | Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium |
|---|---|
| PubChem CID | 159601408 |
| Molecular Formula | C140H212N10O17S5Yb2-2 |
| Molecular Weight | 2813.70 g/mol |
| Exact Mass | 2813.34 |
| IUPAC Name | carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium |
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2cccc(C)n2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2cccc[n+]2[O-])cc1.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2ncccc2C)cc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc[n+]1[O-].O=C(c1ccccn1)c1ccccc1NS(=O)(=O)c1ccccc1.[CH3-].[CH3-].[Yb].[Yb] |
| InChI | InChI=1S/2C21H20N2O3S.C20H18N2O4S.C18H14N2O4S.C18H14N2O3S.20C2H6.2CH3.2Yb/c1-14-6-9-17(10-7-14)27(25,26)23-19-11-8-15(2)13-18(19)21(24)20-16(3)5-4-12-22-20;1-14-7-10-17(11-8-14)27(25,26)23-19-12-9-15(2)13-18(19)21(24)20-6-4-5-16(3)22-20;1-14-6-9-16(10-7-14)27(25,26)21-18-11-8-15(2)13-17(18)20(23)19-5-3-4-12-22(19)24;21-18(17-12-6-7-13-20(17)22)15-10-4-5-11-16(15)19-25(23,24)14-8-2-1-3-9-14;21-18(17-12-6-7-13-19-17)15-10-4-5-11-16(15)20-24(22,23)14-8-2-1-3-9-14;20*1-2;;;;/h2*4-13,23H,1-3H3;3-13,21H,1-2H3;1-13,19H;1-13,20H;20*1-2H3;2*1H3;;/q;;;;;;;;;;;;;;;;;;;;;;;;;2*-1;; |
| InChIKey | NWEINZZMQCDTCG-UHFFFAOYSA-N |
| XLogP | 37.94 |
| TPSA | 408.75 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 174 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2813.70 |
| LogP ≤ 5 | 37.94 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 20 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The IUPAC name of Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium (CID 159601408) is carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium.
What is the SMILES notation for Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The canonical SMILES for Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-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.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2cccc(C)n2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2cccc[n+]2[O-])cc1.Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2ncccc2C)cc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc[n+]1[O-].O=C(c1ccccn1)c1ccccc1NS(=O)(=O)c1ccccc1.[CH3-].[CH3-].[Yb].[Yb].
What is the InChIKey of Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The InChIKey is NWEINZZMQCDTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N2O3S.C20H18N2O4S.C18H14N2O4S.C18H14N2O3S.20C2H6.2CH3.2Yb/c1-14-6-9-17(10-7-14)27(25,26)23-19-11-8-15(2)13-18(19)21(24)20-16(3)5-4-12-22-20;1-14-7-10-17(11-8-14)27(25,26)23-19-12-9-15(2)13-18(19)21(24)20-6-4-5-16(3)22-20;1-14-6-9-16(10-7-14)27(25,26)21-18-11-8-15(2)13-17(18)20(23)19-5-3-4-12-22(19)24;21-18(17-12-6-7-13-20(17)22)15-10-4-5-11-16(15)19-25(23,24)14-8-2-1-3-9-14;21-18(17-12-6-7-13-19-17)15-10-4-5-11-16(15)20-24(22,23)14-8-2-1-3-9-14;20*1-2;;;;/h2*4-13,23H,1-3H3;3-13,21H,1-2H3;1-13,19H;1-13,20H;20*1-2H3;2*1H3;;/q;;;;;;;;;;;;;;;;;;;;;;;;;2*-1;;.
What are the key properties of Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium?
Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium has a molecular weight of 2813.70 g/mol, XLogP of 37.94, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for Carbanide;ethane;4-methyl-N-[4-methyl-2-(3-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(6-methylpyridine-2-carbonyl)phenyl]benzenesulfonamide;4-methyl-N-[4-methyl-2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(1-oxidopyridin-1-ium-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridine-2-carbonyl)phenyl]benzenesulfonamide;ytterbium is sourced from PubChem (CID 159601408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159601408 — identifiers, structure, computed properties (public domain)
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