N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium

C128H197N6O12S4Yb3-3 — CID 159019192

IUPACN-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-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)c2ccccc2)cc1.O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2cnccc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2ncccc12.[CH2-]C.[CH3-].[CH3-].[Yb].[Yb].[Yb]
InChIInChI=1S/2C22H16N2O3S.C21H19NO3S.C19H15NO3S.20C2H6.C2H5.2CH3.3Yb/c25-22(18-11-6-14-20-17(18)12-7-15-23-20)19-10-4-5-13-21(19)24-28(26,27)16-8-2-1-3-9-16;25-22(19-11-6-7-16-15-23-14-13-18(16)19)20-10-4-5-12-21(20)24-28(26,27)17-8-2-1-3-9-17;1-15-8-11-18(12-9-15)26(24,25)22-20-13-10-16(2)14-19(20)21(23)17-6-4-3-5-7-17;21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20-24(22,23)16-11-5-2-6-12-16;21*1-2;;;;;/h2*1-15,24H;3-14,22H,1-2H3;1-14,20H;20*1-2H3;1H2,2H3;2*1H3;;;/q;;;;;;;;;;;;;;;;;;;;;;;;3*-1;;;
InChIKeyDEUPPRXNEFTRDU-UHFFFAOYSA-N
MW2659.40 g/mol
LogP38.85
Rot. Bonds20

About N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium

N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium (PubChem CID 159019192) has the molecular formula C128H197N6O12S4Yb3-3 and a molecular weight of 2659.40 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium
PubChem CID159019192
Molecular FormulaC128H197N6O12S4Yb3-3
Molecular Weight2659.40 g/mol
Exact Mass2660.21
IUPAC NameN-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-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)c2ccccc2)cc1.O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2cnccc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2ncccc12.[CH2-]C.[CH3-].[CH3-].[Yb].[Yb].[Yb]
InChIInChI=1S/2C22H16N2O3S.C21H19NO3S.C19H15NO3S.20C2H6.C2H5.2CH3.3Yb/c25-22(18-11-6-14-20-17(18)12-7-15-23-20)19-10-4-5-13-21(19)24-28(26,27)16-8-2-1-3-9-16;25-22(19-11-6-7-16-15-23-14-13-18(16)19)20-10-4-5-12-21(20)24-28(26,27)17-8-2-1-3-9-17;1-15-8-11-18(12-9-15)26(24,25)22-20-13-10-16(2)14-19(20)21(23)17-6-4-3-5-7-17;21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20-24(22,23)16-11-5-2-6-12-16;21*1-2;;;;;/h2*1-15,24H;3-14,22H,1-2H3;1-14,20H;20*1-2H3;1H2,2H3;2*1H3;;;/q;;;;;;;;;;;;;;;;;;;;;;;;3*-1;;;
InChIKeyDEUPPRXNEFTRDU-UHFFFAOYSA-N
XLogP38.85
TPSA278.74 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002659.40
LogP ≤ 538.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium with MolForge

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Related Compounds

2-(4-(Methylsulfonyl)phenyl)-3-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)-1-(pyridin-3-yl)propan-1-one
CID 10167862
Quinolinium, 1-methyl-6-(p-(p-((1-methylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
CID 205947
Quinolinium, 1,6-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
CID 206458
Quinolinium, 1-methyl-6-((p-(p-((1-methylquinolinium-6-yl)carbamoyl)benzamido)phenyl)carbamoyl)-, di-p-toluenesulfonate
CID 208957
N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)benzenesulfonamide
CID 53310399
Quinolinium, 1-butyl-6-((p-(p-((1-butylpyridinium-3-yl)formamido)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
CID 3052425
6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1257030
4-[(1,8-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 21151524
bis(4-methylbenzenesulfonate);N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide
CID 21151525
N-(1-ethylquinolin-1-ium-6-yl)-4-[4-[4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]phenyl]phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 90669828
bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-7-yl)-4-[4-[4-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]phenyl]phenyl]benzamide
CID 90669835
N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide;bis(4-methylbenzenesulfonate)
CID 90669894

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium (CID 159019192) is N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-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)c2ccccc2)cc1.O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2cnccc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2ncccc12.[CH2-]C.[CH3-].[CH3-].[Yb].[Yb].[Yb].
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium?
The InChIKey is DEUPPRXNEFTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2O3S.C21H19NO3S.C19H15NO3S.20C2H6.C2H5.2CH3.3Yb/c25-22(18-11-6-14-20-17(18)12-7-15-23-20)19-10-4-5-13-21(19)24-28(26,27)16-8-2-1-3-9-16;25-22(19-11-6-7-16-15-23-14-13-18(16)19)20-10-4-5-12-21(20)24-28(26,27)17-8-2-1-3-9-17;1-15-8-11-18(12-9-15)26(24,25)22-20-13-10-16(2)14-19(20)21(23)17-6-4-3-5-7-17;21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20-24(22,23)16-11-5-2-6-12-16;21*1-2;;;;;/h2*1-15,24H;3-14,22H,1-2H3;1-14,20H;20*1-2H3;1H2,2H3;2*1H3;;;/q;;;;;;;;;;;;;;;;;;;;;;;;3*-1;;;.
What are the key properties of N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium?
N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium has a molecular weight of 2659.40 g/mol, XLogP of 38.85, 20 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)benzenesulfonamide;carbanide;ethane;ethane;N-[2-(isoquinoline-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide;ytterbium is sourced from PubChem (CID 159019192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).