N-(benzenesulfonyl)-2-methylprop-2-enamide

C10H11NO3S — CID 15084877

IUPACN-(benzenesulfonyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO3S/c1-8(2)10(12)11-15(13,14)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChIKeyNQAWGTOHYUGFGZ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.07
Rot. Bonds3

About N-(benzenesulfonyl)-2-methylprop-2-enamide

N-(benzenesulfonyl)-2-methylprop-2-enamide (PubChem CID 15084877) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-methylprop-2-enamide
PubChem CID15084877
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC NameN-(benzenesulfonyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO3S/c1-8(2)10(12)11-15(13,14)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChIKeyNQAWGTOHYUGFGZ-UHFFFAOYSA-N
XLogP1.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.07
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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Related Compounds

N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide
CID 91692817
methyl N-(benzenesulfonyl)carbamate
CID 676519
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 18668318
N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
N-(benzenesulfonyl)-2-methylfuran-3-carboxamide
CID 47231856
(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate
CID 139797591
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-methylprop-2-enamide?
The IUPAC name of N-(benzenesulfonyl)-2-methylprop-2-enamide (CID 15084877) is N-(benzenesulfonyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(benzenesulfonyl)-2-methylprop-2-enamide is C=C(C)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-methylprop-2-enamide?
The InChIKey is NQAWGTOHYUGFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-8(2)10(12)11-15(13,14)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12).
What are the key properties of N-(benzenesulfonyl)-2-methylprop-2-enamide?
N-(benzenesulfonyl)-2-methylprop-2-enamide has a molecular weight of 225.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-methylprop-2-enamide is sourced from PubChem (CID 15084877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).