2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide

C14H13N5O5S2 — CID 135434984

IUPAC2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(S(N)(=O)=O)cc23)cc1
InChIInChI=1S/C14H13N5O5S2/c15-25(21,22)9-3-1-8(2-4-9)18-19-13-11-7-10(26(16,23)24)5-6-12(11)17-14(13)20/h1-7,17,20H,(H2,15,21,22)(H2,16,23,24)/b19-18+
InChIKeyDZSDYDGUHYPYPC-VHEBQXMUSA-N
MW395.42 g/mol
LogP1.58
Rot. Bonds4

About 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide

2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide (PubChem CID 135434984) has the molecular formula C14H13N5O5S2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide
PubChem CID135434984
Molecular FormulaC14H13N5O5S2
Molecular Weight395.42 g/mol
Exact Mass395.04
IUPAC Name2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(S(N)(=O)=O)cc23)cc1
InChIInChI=1S/C14H13N5O5S2/c15-25(21,22)9-3-1-8(2-4-9)18-19-13-11-7-10(26(16,23)24)5-6-12(11)17-14(13)20/h1-7,17,20H,(H2,15,21,22)(H2,16,23,24)/b19-18+
InChIKeyDZSDYDGUHYPYPC-VHEBQXMUSA-N
XLogP1.58
TPSA181.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 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
Oxindole-Based Inhibitor 32
CID 135434972

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide?
The IUPAC name of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide (CID 135434984) is 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide?
The canonical SMILES for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc(S(N)(=O)=O)cc23)cc1.
What is the InChIKey of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide?
The InChIKey is DZSDYDGUHYPYPC-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H13N5O5S2/c15-25(21,22)9-3-1-8(2-4-9)18-19-13-11-7-10(26(16,23)24)5-6-12(11)17-14(13)20/h1-7,17,20H,(H2,15,21,22)(H2,16,23,24)/b19-18+.
What are the key properties of 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide?
2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide has a molecular weight of 395.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 135434984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).