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

C18H18N4O3S — CID 135409809

IUPAC4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESCC(C)=Cc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,20,23H,1-2H3,(H2,19,24,25)/b22-21+
InChIKeyZZPQBANVXDRDLD-QURGRASLSA-N
MW370.43 g/mol
LogP4.36
Rot. Bonds4

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

4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (PubChem CID 135409809) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
PubChem CID135409809
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESCC(C)=Cc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12
InChIInChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,20,23H,1-2H3,(H2,19,24,25)/b22-21+
InChIKeyZZPQBANVXDRDLD-QURGRASLSA-N
XLogP4.36
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.36
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-[[4-(cyclobutylidenemethyl)-2-hydroxy-1H-indol-3-yl]diazenyl]benzenesulfonamide
CID 135418489
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-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
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
CID 135981069
CID 135981069
CID 173165002
CID 173165002

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (CID 135409809) is 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is CC(C)=Cc1cccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c12.
What is the InChIKey of 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is ZZPQBANVXDRDLD-QURGRASLSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,20,23H,1-2H3,(H2,19,24,25)/b22-21+.
What are the key properties of 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-4-(2-methylprop-1-enyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 135409809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).