2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol

C22H21N3O3S — CID 4570942

IUPAC2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol
SMILESCCc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1
InChIInChI=1S/C22H21N3O3S/c1-2-16-7-12-22(26)20(15-16)24-23-18-8-10-19(11-9-18)29(27,28)25-14-13-17-5-3-4-6-21(17)25/h3-12,15,26H,2,13-14H2,1H3/b24-23+
InChIKeyVILBASSFZPQAKS-WCWDXBQESA-N
MW407.50 g/mol
LogP5.12
Rot. Bonds5

About 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol

2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol (PubChem CID 4570942) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol.

Molecular Properties

Compound Name2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol
PubChem CID4570942
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol
SMILESCCc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1
InChIInChI=1S/C22H21N3O3S/c1-2-16-7-12-22(26)20(15-16)24-23-18-8-10-19(11-9-18)29(27,28)25-14-13-17-5-3-4-6-21(17)25/h3-12,15,26H,2,13-14H2,1H3/b24-23+
InChIKeyVILBASSFZPQAKS-WCWDXBQESA-N
XLogP5.12
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine
CID 4512362
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1,3-bis[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-diethylurea
CID 17139329
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 3331319
N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4128008

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol?
The IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol (CID 4570942) is 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol.
What is the SMILES notation for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol?
The canonical SMILES for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol is CCc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1.
What is the InChIKey of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol?
The InChIKey is VILBASSFZPQAKS-WCWDXBQESA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-2-16-7-12-22(26)20(15-16)24-23-18-8-10-19(11-9-18)29(27,28)25-14-13-17-5-3-4-6-21(17)25/h3-12,15,26H,2,13-14H2,1H3/b24-23+.
What are the key properties of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol?
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol has a molecular weight of 407.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]diazenyl]-4-ethylphenol is sourced from PubChem (CID 4570942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).