(E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide

C17H13N3O6S — CID 53464770

IUPAC(E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)NO
InChIInChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+
InChIKeyKAFPWADPNJMVFZ-KRXBUXKQSA-N
MW387.37 g/mol
LogP2.31
Rot. Bonds5

About (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide (PubChem CID 53464770) has the molecular formula C17H13N3O6S and a molecular weight of 387.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide
PubChem CID53464770
Molecular FormulaC17H13N3O6S
Molecular Weight387.37 g/mol
Exact Mass387.05
IUPAC Name(E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)NO
InChIInChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+
InChIKeyKAFPWADPNJMVFZ-KRXBUXKQSA-N
XLogP2.31
TPSA131.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide (CID 53464770) is (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide?
The InChIKey is KAFPWADPNJMVFZ-KRXBUXKQSA-N. The full InChI is InChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+.
What are the key properties of (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide has a molecular weight of 387.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(4-nitrophenyl)sulfonylindol-5-yl]prop-2-enamide is sourced from PubChem (CID 53464770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).