N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide

C11H13NO3S — CID 102222059

IUPACN-(benzenesulfonyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO3S/c1-9(2)11(13)12(3)16(14,15)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyKIYOHHYVERWNQM-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.41
Rot. Bonds3

About N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide

N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide (PubChem CID 102222059) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N,2-dimethylprop-2-enamide
PubChem CID102222059
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-(benzenesulfonyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO3S/c1-9(2)11(13)12(3)16(14,15)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyKIYOHHYVERWNQM-UHFFFAOYSA-N
XLogP1.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
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 N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide (CID 102222059) is N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide?
The InChIKey is KIYOHHYVERWNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-9(2)11(13)12(3)16(14,15)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3.
What are the key properties of N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide?
N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide has a molecular weight of 239.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 102222059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).