2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline

C19H25N3O2S — CID 90364344

IUPAC2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline
SMILESCc1cc(N)c(/N=N/c2cc(S(=O)(=O)C(C)C)c(C)cc2C)cc1C
InChIInChI=1S/C19H25N3O2S/c1-11(2)25(23,24)19-10-17(14(5)7-15(19)6)21-22-18-9-13(4)12(3)8-16(18)20/h7-11H,20H2,1-6H3/b22-21+
InChIKeyBYGUNWXJNZXWOG-QURGRASLSA-N
MW359.50 g/mol
LogP5.10
Rot. Bonds4

About 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline

2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline (PubChem CID 90364344) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline.

Molecular Properties

Compound Name2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline
PubChem CID90364344
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline
SMILESCc1cc(N)c(/N=N/c2cc(S(=O)(=O)C(C)C)c(C)cc2C)cc1C
InChIInChI=1S/C19H25N3O2S/c1-11(2)25(23,24)19-10-17(14(5)7-15(19)6)21-22-18-9-13(4)12(3)8-16(18)20/h7-11H,20H2,1-6H3/b22-21+
InChIKeyBYGUNWXJNZXWOG-QURGRASLSA-N
XLogP5.10
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline?
The IUPAC name of 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline (CID 90364344) is 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline.
What is the SMILES notation for 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline?
The canonical SMILES for 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline is Cc1cc(N)c(/N=N/c2cc(S(=O)(=O)C(C)C)c(C)cc2C)cc1C.
What is the InChIKey of 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline?
The InChIKey is BYGUNWXJNZXWOG-QURGRASLSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-11(2)25(23,24)19-10-17(14(5)7-15(19)6)21-22-18-9-13(4)12(3)8-16(18)20/h7-11H,20H2,1-6H3/b22-21+.
What are the key properties of 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline?
2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline has a molecular weight of 359.50 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-5-propan-2-ylsulfonylphenyl)diazenyl]-4,5-dimethylaniline is sourced from PubChem (CID 90364344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).