(E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide

C16H15N3O4S — CID 24958074

IUPAC(E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(S(=O)(=O)c1cccnc1)C2)NO
InChIInChI=1S/C16H15N3O4S/c20-16(18-21)6-4-12-3-5-13-10-19(11-14(13)8-12)24(22,23)15-2-1-7-17-9-15/h1-9,21H,10-11H2,(H,18,20)/b6-4+
InChIKeyULKSZHJUNHCCEV-GQCTYLIASA-N
MW345.38 g/mol
LogP1.30
Rot. Bonds4

About (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide

(E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide (PubChem CID 24958074) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide
PubChem CID24958074
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name(E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(S(=O)(=O)c1cccnc1)C2)NO
InChIInChI=1S/C16H15N3O4S/c20-16(18-21)6-4-12-3-5-13-10-19(11-14(13)8-12)24(22,23)15-2-1-7-17-9-15/h1-9,21H,10-11H2,(H,18,20)/b6-4+
InChIKeyULKSZHJUNHCCEV-GQCTYLIASA-N
XLogP1.30
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)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-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide (CID 24958074) is (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CN(S(=O)(=O)c1cccnc1)C2)NO.
What is the InChIKey of (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide?
The InChIKey is ULKSZHJUNHCCEV-GQCTYLIASA-N. The full InChI is InChI=1S/C16H15N3O4S/c20-16(18-21)6-4-12-3-5-13-10-19(11-14(13)8-12)24(22,23)15-2-1-7-17-9-15/h1-9,21H,10-11H2,(H,18,20)/b6-4+.
What are the key properties of (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide?
(E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide has a molecular weight of 345.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(2-pyridin-3-ylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide is sourced from PubChem (CID 24958074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).