N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)

C21H18N2O3SU — CID 59788669

IUPACN-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)
SMILES[CH2-]Cc1c([CH2-])ccnc1C(=O)c1ccccc1NS(=O)(=O)c1ccccc1.[U+2]
InChIInChI=1S/C21H18N2O3S.U/c1-3-17-15(2)13-14-22-20(17)21(24)18-11-7-8-12-19(18)23-27(25,26)16-9-5-4-6-10-16;/h4-14,23H,1-3H2;/q-2;+2
InChIKeyUOPATPFNHFTYFB-UHFFFAOYSA-N
MW616.48 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)

N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+) (PubChem CID 59788669) has the molecular formula C21H18N2O3SU and a molecular weight of 616.48 g/mol. Its IUPAC name is N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+).

Molecular Properties

Compound NameN-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)
PubChem CID59788669
Molecular FormulaC21H18N2O3SU
Molecular Weight616.48 g/mol
Exact Mass616.15
IUPAC NameN-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)
SMILES[CH2-]Cc1c([CH2-])ccnc1C(=O)c1ccccc1NS(=O)(=O)c1ccccc1.[U+2]
InChIInChI=1S/C21H18N2O3S.U/c1-3-17-15(2)13-14-22-20(17)21(24)18-11-7-8-12-19(18)23-27(25,26)16-9-5-4-6-10-16;/h4-14,23H,1-3H2;/q-2;+2
InChIKeyUOPATPFNHFTYFB-UHFFFAOYSA-N
XLogP3.67
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benzamide
CID 16047968
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
N-Benzyl-N-pyridin-3-ylmethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 9826037
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
N-[4-(4,5-dioxo-3-phenylindol-1-yl)sulfonylphenyl]acetamide
CID 137655418
N-(4-{[2-(Pyridine-3-carbonyl)phenyl]sulfamoyl}phenyl)acetamide
CID 24895183
N-{4-[({2-[(5-Fluoropyridin-2-yl)carbonyl]phenyl}amino)sulfonyl]phenyl}acetamide
CID 24895184
N-(4-{[2-(Pyridine-2-carbonyl)phenyl]sulfamoyl}phenyl)acetamide
CID 24895354
N-(4-{[2-(Pyridine-4-carbonyl)phenyl]sulfamoyl}phenyl)acetamide
CID 24895355
N-{4-[({2-[(6-Fluoropyridin-3-yl)carbonyl]phenyl}amino)sulfonyl]phenyl}acetamide
CID 24895449
8-anilino-3,4-dihydro-2H-phenanthridine-1,7,10-trione
CID 44179671
4-Phenylamino-7-(4-sulfamoyl-phenyl)-quinoline-3-carboxylic acid amide
CID 44444550

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)?
The IUPAC name of N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+) (CID 59788669) is N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+).
What is the SMILES notation for N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)?
The canonical SMILES for N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+) is [CH2-]Cc1c([CH2-])ccnc1C(=O)c1ccccc1NS(=O)(=O)c1ccccc1.[U+2].
What is the InChIKey of N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)?
The InChIKey is UOPATPFNHFTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S.U/c1-3-17-15(2)13-14-22-20(17)21(24)18-11-7-8-12-19(18)23-27(25,26)16-9-5-4-6-10-16;/h4-14,23H,1-3H2;/q-2;+2.
What are the key properties of N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+)?
N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+) has a molecular weight of 616.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-4-methanidylpyridine-2-carbonyl)phenyl]benzenesulfonamide;uranium(2+) is sourced from PubChem (CID 59788669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).