[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate

C93H81BrCl2N6O20S6 — CID 172919771

IUPAC[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate
SMILESC/C(=N\OS(=O)(=O)c1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1C.CC(C)/C(=N\OS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.Cc1ccc(S(=O)(=O)ON=C(c2ccccc2)c2ccccc2)cc1.O=C(O)c1ccc(S(=O)(=O)O/N=C/c2ccccc2)cc1.O=S(=O)(O/N=C(C(=N/OS(=O)(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N2O6S2.C20H17NO3S.C17H17Cl2NO3S.C16H16BrNO3S.C14H11NO5S/c29-35(30,23-17-9-3-10-18-23)33-27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34-36(31,32)24-19-11-4-12-20-24;1-16-12-14-19(15-13-16)25(22,23)24-21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-10-7-11(2)17(12(3)8-10)13(4)20-23-24(21,22)16-9-14(18)5-6-15(16)19;1-12(2)16(13-6-4-3-5-7-13)18-21-22(19,20)15-10-8-14(17)9-11-15;16-14(17)12-6-8-13(9-7-12)21(18,19)20-15-10-11-4-2-1-3-5-11/h1-20H;2-15H,1H3;5-9H,1-4H3;3-12H,1-2H3;1-10H,(H,16,17)/b27-25-,28-26-;;20-13+;18-16+;15-10+
InChIKeyYXCOCZQUXHUAND-CATLPYEBSA-N
MW1945.90 g/mol
LogP20.15
Rot. Bonds28

About [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate

[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate (PubChem CID 172919771) has the molecular formula C93H81BrCl2N6O20S6 and a molecular weight of 1945.90 g/mol. Its IUPAC name is [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate.

Molecular Properties

Compound Name[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate
PubChem CID172919771
Molecular FormulaC93H81BrCl2N6O20S6
Molecular Weight1945.90 g/mol
Exact Mass1942.24
IUPAC Name[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate
SMILESC/C(=N\OS(=O)(=O)c1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1C.CC(C)/C(=N\OS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.Cc1ccc(S(=O)(=O)ON=C(c2ccccc2)c2ccccc2)cc1.O=C(O)c1ccc(S(=O)(=O)O/N=C/c2ccccc2)cc1.O=S(=O)(O/N=C(C(=N/OS(=O)(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N2O6S2.C20H17NO3S.C17H17Cl2NO3S.C16H16BrNO3S.C14H11NO5S/c29-35(30,23-17-9-3-10-18-23)33-27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34-36(31,32)24-19-11-4-12-20-24;1-16-12-14-19(15-13-16)25(22,23)24-21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-10-7-11(2)17(12(3)8-10)13(4)20-23-24(21,22)16-9-14(18)5-6-15(16)19;1-12(2)16(13-6-4-3-5-7-13)18-21-22(19,20)15-10-8-14(17)9-11-15;16-14(17)12-6-8-13(9-7-12)21(18,19)20-15-10-11-4-2-1-3-5-11/h1-20H;2-15H,1H3;5-9H,1-4H3;3-12H,1-2H3;1-10H,(H,16,17)/b27-25-,28-26-;;20-13+;18-16+;15-10+
InChIKeyYXCOCZQUXHUAND-CATLPYEBSA-N
XLogP20.15
TPSA371.68 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001945.90
LogP ≤ 520.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate with MolForge

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Related Compounds

4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate
CID 172957196
4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(Z)-[cyano(phenyl)methylidene]amino] benzenesulfonate;[(E)-1-(4-methoxyphenyl)ethylideneamino] benzenesulfinate;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(Z)-(2-oxo-1-phenylpropylidene)amino] benzenesulfonate
CID 172929588
[(E)-benzylideneamino] 4-methylbenzenesulfonate
CID 20702846
[(E)-(3-chlorophenyl)methylideneamino] 4-methylbenzenesulfonate
CID 131848798
(1-phenylethylideneamino) benzenesulfonate
CID 86155707
4-chloro-3-(2-methylphenoxy)sulfonylbenzoic acid
CID 45413640
bromobenzene;4-methylbenzoic acid
CID 175243849
N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
CID 72554014
3-bromo-4-(4-methylphenyl)sulfonyloxybenzoic acid
CID 45329423
[(E)-[2-[4-(2-hydroxypropoxy)naphthalen-1-yl]-2-oxo-1-phenylethylidene]amino] 4-methylbenzenesulfonate
CID 164755718
[4-bromo-2-[[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 3695723
(2E)-2-hydroxyimino-1-(4-methylnaphthalen-1-yl)-2-phenylethanone;[(E)-[2-(4-methylnaphthalen-1-yl)-2-oxo-1-phenylethylidene]amino] 4-methylbenzenesulfonate
CID 172947463

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate?
The IUPAC name of [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate (CID 172919771) is [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate.
What is the SMILES notation for [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate?
The canonical SMILES for [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate is C/C(=N\OS(=O)(=O)c1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1C.CC(C)/C(=N\OS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.Cc1ccc(S(=O)(=O)ON=C(c2ccccc2)c2ccccc2)cc1.O=C(O)c1ccc(S(=O)(=O)O/N=C/c2ccccc2)cc1.O=S(=O)(O/N=C(C(=N/OS(=O)(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate?
The InChIKey is YXCOCZQUXHUAND-CATLPYEBSA-N. The full InChI is InChI=1S/C26H20N2O6S2.C20H17NO3S.C17H17Cl2NO3S.C16H16BrNO3S.C14H11NO5S/c29-35(30,23-17-9-3-10-18-23)33-27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34-36(31,32)24-19-11-4-12-20-24;1-16-12-14-19(15-13-16)25(22,23)24-21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-10-7-11(2)17(12(3)8-10)13(4)20-23-24(21,22)16-9-14(18)5-6-15(16)19;1-12(2)16(13-6-4-3-5-7-13)18-21-22(19,20)15-10-8-14(17)9-11-15;16-14(17)12-6-8-13(9-7-12)21(18,19)20-15-10-11-4-2-1-3-5-11/h1-20H;2-15H,1H3;5-9H,1-4H3;3-12H,1-2H3;1-10H,(H,16,17)/b27-25-,28-26-;;20-13+;18-16+;15-10+.
What are the key properties of [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate?
[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate has a molecular weight of 1945.90 g/mol, XLogP of 20.15, 28 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate is sourced from PubChem (CID 172919771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).