(2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide

C19H16N2O4S — CID 10642781

IUPAC(2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1cc2ccccc2n1S(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C19H16N2O4S/c22-19(20-23)13-7-5-9-16-14-15-8-4-6-12-18(15)21(16)26(24,25)17-10-2-1-3-11-17/h1-14,23H,(H,20,22)/b9-5+,13-7+
InChIKeyWLBCAZFQQOXASG-MHUSLGGSSA-N
MW368.41 g/mol
LogP2.95
Rot. Bonds5

About (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide

(2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide (PubChem CID 10642781) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide
PubChem CID10642781
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name(2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1cc2ccccc2n1S(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C19H16N2O4S/c22-19(20-23)13-7-5-9-16-14-15-8-4-6-12-18(15)21(16)26(24,25)17-10-2-1-3-11-17/h1-14,23H,(H,20,22)/b9-5+,13-7+
InChIKeyWLBCAZFQQOXASG-MHUSLGGSSA-N
XLogP2.95
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.95
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide (CID 10642781) is (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide is O=C(/C=C/C=C/c1cc2ccccc2n1S(=O)(=O)c1ccccc1)NO.
What is the InChIKey of (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide?
The InChIKey is WLBCAZFQQOXASG-MHUSLGGSSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-19(20-23)13-7-5-9-16-14-15-8-4-6-12-18(15)21(16)26(24,25)17-10-2-1-3-11-17/h1-14,23H,(H,20,22)/b9-5+,13-7+.
What are the key properties of (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide?
(2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide has a molecular weight of 368.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[1-(benzenesulfonyl)indol-2-yl]-N-hydroxypenta-2,4-dienamide is sourced from PubChem (CID 10642781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).