4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide

C19H18N4O3S — CID 135418489

IUPAC4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(C=C4CCC4)c23)cc1
InChIInChI=1S/C19H18N4O3S/c20-27(25,26)15-9-7-14(8-10-15)22-23-18-17-13(11-12-3-1-4-12)5-2-6-16(17)21-19(18)24/h2,5-11,21,24H,1,3-4H2,(H2,20,25,26)/b23-22+
InChIKeyZCQXGWQBUMWCIN-GHVJWSGMSA-N
MW382.45 g/mol
LogP4.50
Rot. Bonds4

About 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide

4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide (PubChem CID 135418489) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide
PubChem CID135418489
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(C=C4CCC4)c23)cc1
InChIInChI=1S/C19H18N4O3S/c20-27(25,26)15-9-7-14(8-10-15)22-23-18-17-13(11-12-3-1-4-12)5-2-6-16(17)21-19(18)24/h2,5-11,21,24H,1,3-4H2,(H2,20,25,26)/b23-22+
InChIKeyZCQXGWQBUMWCIN-GHVJWSGMSA-N
XLogP4.50
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.50
H-Bond Donors ≤ 53
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

4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
CID 135409809
4-[(2-hydroxy-4-methyl-5-nitro-1H-indol-3-yl)diazenyl]benzenesulfonamide;molecular hydrogen
CID 158281519
4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434982
4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434992
CID 135981027
CID 135981027
4-[(2-hydroxy-4-iodo-1H-indol-3-yl)methylideneamino]benzenesulfonamide;methyl (E)-3-[2-hydroxy-3-[(4-sulfamoylphenyl)iminomethyl]-1H-indol-4-yl]prop-2-enoate
CID 162168101
CID 135981041
CID 135981041
4-[(7-oxo-3,6-dihydro-2H-pyrrolo[3,2-e]benzotriazol-8-yl)diazenyl]benzenesulfonamide
CID 135435005
4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide
CID 171904859
4-[(2,9-dioxo-1,4,5,6,7,8-hexahydropyrazolo[5,1-b]quinazolin-3-yl)diazenyl]benzenesulfonamide
CID 135431517
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-carboxamide
CID 135434987

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide (CID 135418489) is 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(C=C4CCC4)c23)cc1.
What is the InChIKey of 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is ZCQXGWQBUMWCIN-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H18N4O3S/c20-27(25,26)15-9-7-14(8-10-15)22-23-18-17-13(11-12-3-1-4-12)5-2-6-16(17)21-19(18)24/h2,5-11,21,24H,1,3-4H2,(H2,20,25,26)/b23-22+.
What are the key properties of 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide?
4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 135418489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).