2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium

C23H22N3O2S+ — CID 154710071

IUPAC2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
SMILESCc1ccc(S(=O)(=O)N(C/C=C/c2cccc(C)c2)c2ccccc2[N+]#N)cc1
InChIInChI=1S/C23H22N3O2S/c1-18-12-14-21(15-13-18)29(27,28)26(23-11-4-3-10-22(23)25-24)16-6-9-20-8-5-7-19(2)17-20/h3-15,17H,16H2,1-2H3/q+1/b9-6+
InChIKeyMRPPFVVZLZWVQH-RMKNXTFCSA-N
MW404.52 g/mol
LogP5.70
Rot. Bonds6

About 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium

2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium (PubChem CID 154710071) has the molecular formula C23H22N3O2S+ and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium.

Molecular Properties

Compound Name2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
PubChem CID154710071
Molecular FormulaC23H22N3O2S+
Molecular Weight404.52 g/mol
Exact Mass404.14
IUPAC Name2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
SMILESCc1ccc(S(=O)(=O)N(C/C=C/c2cccc(C)c2)c2ccccc2[N+]#N)cc1
InChIInChI=1S/C23H22N3O2S/c1-18-12-14-21(15-13-18)29(27,28)26(23-11-4-3-10-22(23)25-24)16-6-9-20-8-5-7-19(2)17-20/h3-15,17H,16H2,1-2H3/q+1/b9-6+
InChIKeyMRPPFVVZLZWVQH-RMKNXTFCSA-N
XLogP5.70
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
CID 154709950
4-methyl-N-[2-(2-phenylethynyl)phenyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 177481573
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6022806
N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide
CID 169040724
N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 169040650
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637
N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 132517238
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-N-[(E)-3-(3-methylphenyl)prop-2-enyl]benzenesulfonamide
CID 67369106
4-methyl-N-(2-methylphenyl)benzenesulfonohydrazide
CID 175041346
N-ethyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 14196335
[(E)-4-(2-hydroxy-N-(4-methylphenyl)sulfonylanilino)but-2-enyl] 2,2,2-trichloroethanimidate
CID 57337474

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium?
The IUPAC name of 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium (CID 154710071) is 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium.
What is the SMILES notation for 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium?
The canonical SMILES for 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium is Cc1ccc(S(=O)(=O)N(C/C=C/c2cccc(C)c2)c2ccccc2[N+]#N)cc1.
What is the InChIKey of 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium?
The InChIKey is MRPPFVVZLZWVQH-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H22N3O2S/c1-18-12-14-21(15-13-18)29(27,28)26(23-11-4-3-10-22(23)25-24)16-6-9-20-8-5-7-19(2)17-20/h3-15,17H,16H2,1-2H3/q+1/b9-6+.
What are the key properties of 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium?
2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium has a molecular weight of 404.52 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium is sourced from PubChem (CID 154710071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).