4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

C16H16N4O3S — CID 135434993

IUPAC4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCCc1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1
InChIInChI=1S/C16H16N4O3S/c1-2-10-3-8-13-14(9-10)18-16(21)15(13)20-19-11-4-6-12(7-5-11)24(17,22)23/h3-9,18,21H,2H2,1H3,(H2,17,22,23)/b20-19+
InChIKeyNAGXMQRFQOVRBT-FMQUCBEESA-N
MW344.40 g/mol
LogP3.50
Rot. Bonds4

About 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434993) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434993
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCCc1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1
InChIInChI=1S/C16H16N4O3S/c1-2-10-3-8-13-14(9-10)18-16(21)15(13)20-19-11-4-6-12(7-5-11)24(17,22)23/h3-9,18,21H,2H2,1H3,(H2,17,22,23)/b20-19+
InChIKeyNAGXMQRFQOVRBT-FMQUCBEESA-N
XLogP3.50
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.50
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

N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
CID 4477128
3-((4-((amino(imino)methyl)aminosulfonyl)anilino)methylene)-2-oxo-2,3-dihydro-1H-indole
CID 4477132
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Cdk2 Inhibitor II
CID 3551941
Oxindole-Based Inhibitor 57
CID 135404113
Oxindole-Based Inhibitor 44
CID 135405216
Oxindole-Based Inhibitor 29
CID 135409809
N-[2-(Dimethylamino)ethyl]-4-{[(Z)-(2-Oxo-1,2-Dihydro-3h-Indol-3-Ylidene)methyl]amino}benzenesulfonamide
CID 135421157
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 20
CID 135434965
Oxindole-Based Inhibitor 26
CID 135434967
Oxindole-Based Inhibitor 28
CID 135434969

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434993) is 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is CCc1ccc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1.
What is the InChIKey of 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is NAGXMQRFQOVRBT-FMQUCBEESA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-2-10-3-8-13-14(9-10)18-16(21)15(13)20-19-11-4-6-12(7-5-11)24(17,22)23/h3-9,18,21H,2H2,1H3,(H2,17,22,23)/b20-19+.
What are the key properties of 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).