N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

C19H21N3O3S — CID 56953866

IUPACN-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c1-2-19(23)20-16-8-10-18(11-9-16)26(24,25)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h2-11H,1,12-15H2,(H,20,23)
InChIKeyVIBBHXNFIOPNNL-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.32
Rot. Bonds5

About N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (PubChem CID 56953866) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
PubChem CID56953866
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c1-2-19(23)20-16-8-10-18(11-9-16)26(24,25)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h2-11H,1,12-15H2,(H,20,23)
InChIKeyVIBBHXNFIOPNNL-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.32
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 N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (CID 56953866) is N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The InChIKey is VIBBHXNFIOPNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-19(23)20-16-8-10-18(11-9-16)26(24,25)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h2-11H,1,12-15H2,(H,20,23).
What are the key properties of N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide has a molecular weight of 371.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 56953866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).