(E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide

C16H13N3O4S — CID 86765212

IUPAC(E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)n2ccc3cccnc32)c1)NO
InChIInChI=1S/C16H13N3O4S/c20-15(18-21)7-6-12-3-1-5-14(11-12)24(22,23)19-10-8-13-4-2-9-17-16(13)19/h1-11,21H,(H,18,20)/b7-6+
InChIKeyOXPJGPURVBXIAP-VOTSOKGWSA-N
MW343.36 g/mol
LogP1.79
Rot. Bonds4

About (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide

(E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 86765212) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID86765212
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name(E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)n2ccc3cccnc32)c1)NO
InChIInChI=1S/C16H13N3O4S/c20-15(18-21)7-6-12-3-1-5-14(11-12)24(22,23)19-10-8-13-4-2-9-17-16(13)19/h1-11,21H,(H,18,20)/b7-6+
InChIKeyOXPJGPURVBXIAP-VOTSOKGWSA-N
XLogP1.79
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide (CID 86765212) is (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)n2ccc3cccnc32)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is OXPJGPURVBXIAP-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-15(18-21)7-6-12-3-1-5-14(11-12)24(22,23)19-10-8-13-4-2-9-17-16(13)19/h1-11,21H,(H,18,20)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 343.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(3-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 86765212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).