(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide

C18H16N4O4S — CID 15985848

IUPAC(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
SMILESNc1ccc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)NO)c3)cc2)cn1
InChIInChI=1S/C18H16N4O4S/c19-17-7-4-15(11-20-17)14-2-5-16(6-3-14)27(25,26)22-10-9-13(12-22)1-8-18(23)21-24/h1-12,24H,(H2,19,20)(H,21,23)/b8-1+
InChIKeyBCJJJJSAPSOCJD-UNXLUWIOSA-N
MW384.42 g/mol
LogP1.89
Rot. Bonds5

About (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide (PubChem CID 15985848) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
PubChem CID15985848
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
SMILESNc1ccc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)NO)c3)cc2)cn1
InChIInChI=1S/C18H16N4O4S/c19-17-7-4-15(11-20-17)14-2-5-16(6-3-14)27(25,26)22-10-9-13(12-22)1-8-18(23)21-24/h1-12,24H,(H2,19,20)(H,21,23)/b8-1+
InChIKeyBCJJJJSAPSOCJD-UNXLUWIOSA-N
XLogP1.89
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide (CID 15985848) is (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide is Nc1ccc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)NO)c3)cc2)cn1.
What is the InChIKey of (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide?
The InChIKey is BCJJJJSAPSOCJD-UNXLUWIOSA-N. The full InChI is InChI=1S/C18H16N4O4S/c19-17-7-4-15(11-20-17)14-2-5-16(6-3-14)27(25,26)22-10-9-13(12-22)1-8-18(23)21-24/h1-12,24H,(H2,19,20)(H,21,23)/b8-1+.
What are the key properties of (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide has a molecular weight of 384.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 15985848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).