4-[methylsulfonyl(prop-2-enyl)amino]benzamide

C11H14N2O3S — CID 966846

IUPAC4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(N)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C11H14N2O3S/c1-3-8-13(17(2,15)16)10-6-4-9(5-7-10)11(12)14/h3-7H,1,8H2,2H3,(H2,12,14)
InChIKeyXDKNWSNGENIFOS-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.74
Rot. Bonds5

About 4-[methylsulfonyl(prop-2-enyl)amino]benzamide

4-[methylsulfonyl(prop-2-enyl)amino]benzamide (PubChem CID 966846) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[methylsulfonyl(prop-2-enyl)amino]benzamide.

Molecular Properties

Compound Name4-[methylsulfonyl(prop-2-enyl)amino]benzamide
PubChem CID966846
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(N)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C11H14N2O3S/c1-3-8-13(17(2,15)16)10-6-4-9(5-7-10)11(12)14/h3-7H,1,8H2,2H3,(H2,12,14)
InChIKeyXDKNWSNGENIFOS-UHFFFAOYSA-N
XLogP0.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The IUPAC name of 4-[methylsulfonyl(prop-2-enyl)amino]benzamide (CID 966846) is 4-[methylsulfonyl(prop-2-enyl)amino]benzamide.
What is the SMILES notation for 4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The canonical SMILES for 4-[methylsulfonyl(prop-2-enyl)amino]benzamide is C=CCN(c1ccc(C(N)=O)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The InChIKey is XDKNWSNGENIFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-8-13(17(2,15)16)10-6-4-9(5-7-10)11(12)14/h3-7H,1,8H2,2H3,(H2,12,14).
What are the key properties of 4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
4-[methylsulfonyl(prop-2-enyl)amino]benzamide has a molecular weight of 254.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylsulfonyl(prop-2-enyl)amino]benzamide is sourced from PubChem (CID 966846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).