4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

C15H14N4O4S — CID 135434980

IUPAC4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCOc1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C15H14N4O4S/c1-23-10-4-7-13-12(8-10)14(15(20)17-13)19-18-9-2-5-11(6-3-9)24(16,21)22/h2-8,17,20H,1H3,(H2,16,21,22)/b19-18+
InChIKeyCOAWUQNGTGZZLZ-VHEBQXMUSA-N
MW346.37 g/mol
LogP2.94
Rot. Bonds4

About 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide

4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (PubChem CID 135434980) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
PubChem CID135434980
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
SMILESCOc1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C15H14N4O4S/c1-23-10-4-7-13-12(8-10)14(15(20)17-13)19-18-9-2-5-11(6-3-9)24(16,21)22/h2-8,17,20H,1H3,(H2,16,21,22)/b19-18+
InChIKeyCOAWUQNGTGZZLZ-VHEBQXMUSA-N
XLogP2.94
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-(4-Methoxyphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea
CID 947057
Oxindole-Based Inhibitor 44
CID 135405216
Oxindole-Based Inhibitor 29
CID 135409809
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 26
CID 135434967
Oxindole-Based Inhibitor 30
CID 135434970
Oxindole-Based Inhibitor 31
CID 135434971
Oxindole-Based Inhibitor 32
CID 135434972
Oxindole-Based Inhibitor 35
CID 135434975
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 42
CID 135434979
4-{2-[(3Z)-5-amino-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide hydrochloride
CID 135434982

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide (CID 135434980) is 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is COc1ccc2[nH]c(O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
The InChIKey is COAWUQNGTGZZLZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-23-10-4-7-13-12(8-10)14(15(20)17-13)19-18-9-2-5-11(6-3-9)24(16,21)22/h2-8,17,20H,1H3,(H2,16,21,22)/b19-18+.
What are the key properties of 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide?
4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide has a molecular weight of 346.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).