(E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

C17H14N2O4S — CID 5353852

IUPAC(E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESO=C(/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1)NO
InChIInChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+
InChIKeyQRPSQQUYPMFERG-LFYBBSHMSA-N
MW342.38 g/mol
LogP1.90
Rot. Bonds4

About (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

(E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide (PubChem CID 5353852) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
PubChem CID5353852
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name(E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESO=C(/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1)NO
InChIInChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+
InChIKeyQRPSQQUYPMFERG-LFYBBSHMSA-N
XLogP1.90
TPSA95.50 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 ≤ 51.90
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The IUPAC name of (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide (CID 5353852) is (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide.
What is the SMILES notation for (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The canonical SMILES for (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide is O=C(/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1)NO.
What is the InChIKey of (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The InChIKey is QRPSQQUYPMFERG-LFYBBSHMSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)/b12-5+.
What are the key properties of (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
(E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide has a molecular weight of 342.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide is sourced from PubChem (CID 5353852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).