4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide

C32H34N4O4S2 — CID 101498750

IUPAC4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC/N=C(C(=N\CCNS(=O)(=O)c2ccc(C)cc2)\c2ccccc2)/c2ccccc2)cc1
InChIInChI=1S/C32H34N4O4S2/c1-25-13-17-29(18-14-25)41(37,38)35-23-21-33-31(27-9-5-3-6-10-27)32(28-11-7-4-8-12-28)34-22-24-36-42(39,40)30-19-15-26(2)16-20-30/h3-20,35-36H,21-24H2,1-2H3/b33-31-,34-32+
InChIKeyOGJOSMMLGFXBBX-IUQQBYGBSA-N
MW602.78 g/mol
LogP4.54
Rot. Bonds13

About 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide

4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide (PubChem CID 101498750) has the molecular formula C32H34N4O4S2 and a molecular weight of 602.78 g/mol. Its IUPAC name is 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
PubChem CID101498750
Molecular FormulaC32H34N4O4S2
Molecular Weight602.78 g/mol
Exact Mass602.20
IUPAC Name4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC/N=C(C(=N\CCNS(=O)(=O)c2ccc(C)cc2)\c2ccccc2)/c2ccccc2)cc1
InChIInChI=1S/C32H34N4O4S2/c1-25-13-17-29(18-14-25)41(37,38)35-23-21-33-31(27-9-5-3-6-10-27)32(28-11-7-4-8-12-28)34-22-24-36-42(39,40)30-19-15-26(2)16-20-30/h3-20,35-36H,21-24H2,1-2H3/b33-31-,34-32+
InChIKeyOGJOSMMLGFXBBX-IUQQBYGBSA-N
XLogP4.54
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.78
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide
CID 3448478
1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111043760
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 122684210
N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
CID 111043818
1-tert-butyl-3-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110964568
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-(2-phenylbuta-2,3-dienyl)benzenesulfonamide
CID 71512775
1-ethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-ynylguanidine
CID 136921879
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
1-ethyl-3-(2-methoxyethyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 110939524
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide (CID 101498750) is 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC/N=C(C(=N\CCNS(=O)(=O)c2ccc(C)cc2)\c2ccccc2)/c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide?
The InChIKey is OGJOSMMLGFXBBX-IUQQBYGBSA-N. The full InChI is InChI=1S/C32H34N4O4S2/c1-25-13-17-29(18-14-25)41(37,38)35-23-21-33-31(27-9-5-3-6-10-27)32(28-11-7-4-8-12-28)34-22-24-36-42(39,40)30-19-15-26(2)16-20-30/h3-20,35-36H,21-24H2,1-2H3/b33-31-,34-32+.
What are the key properties of 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide?
4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide has a molecular weight of 602.78 g/mol, XLogP of 4.54, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 101498750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).