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

C21H19N5O3S — CID 135434973

IUPAC4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(CCc4ccncc4)c23)cc1
InChIInChI=1S/C21H19N5O3S/c22-30(28,29)17-8-6-16(7-9-17)25-26-20-19-15(2-1-3-18(19)24-21(20)27)5-4-14-10-12-23-13-11-14/h1-3,6-13,24,27H,4-5H2,(H2,22,28,29)/b26-25+
InChIKeyYTWUJKTZUCBCKZ-OCEACIFDSA-N
MW421.48 g/mol
LogP4.12
Rot. Bonds6

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

4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (PubChem CID 135434973) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
PubChem CID135434973
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(CCc4ccncc4)c23)cc1
InChIInChI=1S/C21H19N5O3S/c22-30(28,29)17-8-6-16(7-9-17)25-26-20-19-15(2-1-3-18(19)24-21(20)27)5-4-14-10-12-23-13-11-14/h1-3,6-13,24,27H,4-5H2,(H2,22,28,29)/b26-25+
InChIKeyYTWUJKTZUCBCKZ-OCEACIFDSA-N
XLogP4.12
TPSA133.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.12
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

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
Oxindole-Based Inhibitor 61
CID 135405282
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 26
CID 135434967
Oxindole-Based Inhibitor 28
CID 135434969
Oxindole-Based Inhibitor 35
CID 135434975
Oxindole-Based Inhibitor 36
CID 135434976
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 42
CID 135434979

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide (CID 135434973) is 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(CCc4ccncc4)c23)cc1.
What is the InChIKey of 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is YTWUJKTZUCBCKZ-OCEACIFDSA-N. The full InChI is InChI=1S/C21H19N5O3S/c22-30(28,29)17-8-6-16(7-9-17)25-26-20-19-15(2-1-3-18(19)24-21(20)27)5-4-14-10-12-23-13-11-14/h1-3,6-13,24,27H,4-5H2,(H2,22,28,29)/b26-25+.
What are the key properties of 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide?
4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-4-(2-pyridin-4-ylethyl)-1H-indol-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 135434973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).