acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate

C70H82ClN5O13S2 — CID 172931470

IUPACacetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate
SMILESCC(=O)Cl.CC(=O)OC(/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1.CC(=O)OC(C(=O)c1ccccc1)c1ccccc1.CCN(CC)CC.CCO.Cc1ccc(S(=O)(=O)NN)cc1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C23H22N2O4S.C16H14O3.C14H12O2.C7H10N2O2S.C6H15N.C2H3ClO.C2H6O/c1-17-13-15-21(16-14-17)30(27,28)25-24-22(19-9-5-3-6-10-19)23(29-18(2)26)20-11-7-4-8-12-20;1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)12(10,11)9-8;1-4-7(5-2)6-3;1-2(3)4;1-2-3/h3-16,23,25H,1-2H3;2-11,16H,1H3;1-10,13,15H;2-5,9H,8H2,1H3;4-6H2,1-3H3;1H3;3H,2H2,1H3/b24-22+;;;;;;
InChIKeyRLXRXQULHYHCPY-HIVVDSOFSA-N
MW1301.03 g/mol
LogP12.02
Rot. Bonds19

About acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate

acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate (PubChem CID 172931470) has the molecular formula C70H82ClN5O13S2 and a molecular weight of 1301.03 g/mol. Its IUPAC name is acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate.

Molecular Properties

Compound Nameacetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate
PubChem CID172931470
Molecular FormulaC70H82ClN5O13S2
Molecular Weight1301.03 g/mol
Exact Mass1299.50
IUPAC Nameacetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate
SMILESCC(=O)Cl.CC(=O)OC(/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1.CC(=O)OC(C(=O)c1ccccc1)c1ccccc1.CCN(CC)CC.CCO.Cc1ccc(S(=O)(=O)NN)cc1.O=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C23H22N2O4S.C16H14O3.C14H12O2.C7H10N2O2S.C6H15N.C2H3ClO.C2H6O/c1-17-13-15-21(16-14-17)30(27,28)25-24-22(19-9-5-3-6-10-19)23(29-18(2)26)20-11-7-4-8-12-20;1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)12(10,11)9-8;1-4-7(5-2)6-3;1-2(3)4;1-2-3/h3-16,23,25H,1-2H3;2-11,16H,1H3;1-10,13,15H;2-5,9H,8H2,1H3;4-6H2,1-3H3;1H3;3H,2H2,1H3/b24-22+;;;;;;
InChIKeyRLXRXQULHYHCPY-HIVVDSOFSA-N
XLogP12.02
TPSA278.23 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.03
LogP ≤ 512.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate with MolForge

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Related Compounds

4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate
CID 142494385
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331100
methyl N-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanehydrazonate
CID 118198075
N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 3796492
[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate
CID 11266944
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41330698

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate?
The IUPAC name of acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate (CID 172931470) is acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate.
What is the SMILES notation for acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate?
The canonical SMILES for acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate is CC(=O)Cl.CC(=O)OC(/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)c1ccccc1.CC(=O)OC(C(=O)c1ccccc1)c1ccccc1.CCN(CC)CC.CCO.Cc1ccc(S(=O)(=O)NN)cc1.O=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate?
The InChIKey is RLXRXQULHYHCPY-HIVVDSOFSA-N. The full InChI is InChI=1S/C23H22N2O4S.C16H14O3.C14H12O2.C7H10N2O2S.C6H15N.C2H3ClO.C2H6O/c1-17-13-15-21(16-14-17)30(27,28)25-24-22(19-9-5-3-6-10-19)23(29-18(2)26)20-11-7-4-8-12-20;1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)12(10,11)9-8;1-4-7(5-2)6-3;1-2(3)4;1-2-3/h3-16,23,25H,1-2H3;2-11,16H,1H3;1-10,13,15H;2-5,9H,8H2,1H3;4-6H2,1-3H3;1H3;3H,2H2,1H3/b24-22+;;;;;;.
What are the key properties of acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate?
acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate has a molecular weight of 1301.03 g/mol, XLogP of 12.02, 19 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;N,N-diethylethanamine;ethanol;2-hydroxy-1,2-diphenylethanone;4-methylbenzenesulfonohydrazide;[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-1,2-diphenylethyl] acetate;(2-oxo-1,2-diphenylethyl) acetate is sourced from PubChem (CID 172931470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).