(E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide

C17H14N2O4S — CID 53464764

IUPAC(E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1)NO
InChIInChI=1S/C17H14N2O4S/c20-17(19-21)9-7-12-6-8-15-14(10-12)16(11-18-15)24(22,23)13-4-2-1-3-5-13/h1-11,18,21H,(H,19,20)/b9-7+
InChIKeyHPHQPBRLFURECZ-VQHVLOKHSA-N
MW342.38 g/mol
LogP2.52
Rot. Bonds4

About (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 53464764) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID53464764
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name(E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1)NO
InChIInChI=1S/C17H14N2O4S/c20-17(19-21)9-7-12-6-8-15-14(10-12)16(11-18-15)24(22,23)13-4-2-1-3-5-13/h1-11,18,21H,(H,19,20)/b9-7+
InChIKeyHPHQPBRLFURECZ-VQHVLOKHSA-N
XLogP2.52
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide (CID 53464764) is (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1)NO.
What is the InChIKey of (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is HPHQPBRLFURECZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-17(19-21)9-7-12-6-8-15-14(10-12)16(11-18-15)24(22,23)13-4-2-1-3-5-13/h1-11,18,21H,(H,19,20)/b9-7+.
What are the key properties of (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 342.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 53464764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).