4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide

C17H17NO4S — CID 138392378

IUPAC4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/C(C)=C\C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO4S/c1-13(12-17(19)14-6-4-3-5-7-14)18-23(20,21)16-10-8-15(22-2)9-11-16/h3-12,18H,1-2H3/b13-12-
InChIKeyASLDTCDGFFNJRI-SEYXRHQNSA-N
MW331.39 g/mol
LogP2.76
Rot. Bonds6

About 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide

4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide (PubChem CID 138392378) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide
PubChem CID138392378
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/C(C)=C\C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO4S/c1-13(12-17(19)14-6-4-3-5-7-14)18-23(20,21)16-10-8-15(22-2)9-11-16/h3-12,18H,1-2H3/b13-12-
InChIKeyASLDTCDGFFNJRI-SEYXRHQNSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide (CID 138392378) is 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N/C(C)=C\C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide?
The InChIKey is ASLDTCDGFFNJRI-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-13(12-17(19)14-6-4-3-5-7-14)18-23(20,21)16-10-8-15(22-2)9-11-16/h3-12,18H,1-2H3/b13-12-.
What are the key properties of 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide?
4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide has a molecular weight of 331.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-4-oxo-4-phenylbut-2-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 138392378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).