(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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Related Compounds

CID 127029020
CID 127029020
CID 10236948
CID 10236948
CID 44586804
CID 44586804
CID 53464577
CID 53464577
CID 118712700
CID 118712700
CID 118712701
CID 118712701
CID 118712702
CID 118712702
CID 118712703
CID 118712703
CID 118712704
CID 118712704
CID 118712708
CID 118712708
CID 118712709
CID 118712709
CID 118712710
CID 118712710

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).