4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide

C20H16N4O3S — CID 135423055

IUPAC4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2c(O)[nH]c3ncc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H16N4O3S/c21-28(26,27)16-8-6-15(7-9-16)22-12-18-17-10-14(13-4-2-1-3-5-13)11-23-19(17)24-20(18)25/h1-12,25H,(H,23,24)(H2,21,26,27)/b22-12+
InChIKeyOSIPEVIAEIKIOW-WSDLNYQXSA-N
MW392.44 g/mol
LogP3.33
Rot. Bonds4

About 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide

4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 135423055) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide
PubChem CID135423055
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2c(O)[nH]c3ncc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C20H16N4O3S/c21-28(26,27)16-8-6-15(7-9-16)22-12-18-17-10-14(13-4-2-1-3-5-13)11-23-19(17)24-20(18)25/h1-12,25H,(H,23,24)(H2,21,26,27)/b22-12+
InChIKeyOSIPEVIAEIKIOW-WSDLNYQXSA-N
XLogP3.33
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2-hydroxy-6-(hydroxymethyl)-1H-indol-3-yl]methylideneamino]benzenesulfonamide
CID 135421143
4-[[2-hydroxy-6-(hydroxymethyl)-1H-indol-3-yl]methylideneamino]benzenesulfonamide;molecular hydrogen
CID 161042911
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
ethyl 2-hydroxy-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 135800763
4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide
CID 135456482
ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 135800764
4-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 10659069
4-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzenesulfonamide
CID 3119695
4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 93012826
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide (CID 135423055) is 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2c(O)[nH]c3ncc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is OSIPEVIAEIKIOW-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-28(26,27)16-8-6-15(7-9-16)22-12-18-17-10-14(13-4-2-1-3-5-13)11-23-19(17)24-20(18)25/h1-12,25H,(H,23,24)(H2,21,26,27)/b22-12+.
What are the key properties of 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide?
4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 135423055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).