4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide

C22H19NO3S — CID 11111622

IUPAC4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)23-16-21(18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-16,23H,1H3/b21-16-
InChIKeyNZEFPZWPKFSZLE-PGMHBOJBSA-N
MW377.47 g/mol
LogP4.20
Rot. Bonds6

About 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide

4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide (PubChem CID 11111622) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide
PubChem CID11111622
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)23-16-21(18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-16,23H,1H3/b21-16-
InChIKeyNZEFPZWPKFSZLE-PGMHBOJBSA-N
XLogP4.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide (CID 11111622) is 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide?
The InChIKey is NZEFPZWPKFSZLE-PGMHBOJBSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-17-12-14-20(15-13-17)27(25,26)23-16-21(18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-16,23H,1H3/b21-16-.
What are the key properties of 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide?
4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-3-oxo-2,3-diphenylprop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 11111622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).