N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide

C16H14N2O4S — CID 58715998

IUPACN-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
SMILESC=CC(=O)Nc1ccccc1S(=O)(=O)NC(=O)c1ccccc1
InChIInChI=1S/C16H14N2O4S/c1-2-15(19)17-13-10-6-7-11-14(13)23(21,22)18-16(20)12-8-4-3-5-9-12/h2-11H,1H2,(H,17,19)(H,18,20)
InChIKeyYWAZRDQFHIWSAA-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide

N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide (PubChem CID 58715998) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
PubChem CID58715998
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
SMILESC=CC(=O)Nc1ccccc1S(=O)(=O)NC(=O)c1ccccc1
InChIInChI=1S/C16H14N2O4S/c1-2-15(19)17-13-10-6-7-11-14(13)23(21,22)18-16(20)12-8-4-3-5-9-12/h2-11H,1H2,(H,17,19)(H,18,20)
InChIKeyYWAZRDQFHIWSAA-UHFFFAOYSA-N
XLogP1.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
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-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide?
The IUPAC name of N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide (CID 58715998) is N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide?
The canonical SMILES for N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide is C=CC(=O)Nc1ccccc1S(=O)(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide?
The InChIKey is YWAZRDQFHIWSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-2-15(19)17-13-10-6-7-11-14(13)23(21,22)18-16(20)12-8-4-3-5-9-12/h2-11H,1H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide?
N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide has a molecular weight of 330.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide is sourced from PubChem (CID 58715998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).