2-methylsulfonyl-N-prop-2-enylbenzamide

C11H13NO3S — CID 31301978

IUPAC2-methylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H13NO3S/c1-3-8-12-11(13)9-6-4-5-7-10(9)16(2,14)15/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyAOWSXYOJCBURRF-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.01
Rot. Bonds4

About 2-methylsulfonyl-N-prop-2-enylbenzamide

2-methylsulfonyl-N-prop-2-enylbenzamide (PubChem CID 31301978) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-methylsulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-prop-2-enylbenzamide
PubChem CID31301978
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-methylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H13NO3S/c1-3-8-12-11(13)9-6-4-5-7-10(9)16(2,14)15/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyAOWSXYOJCBURRF-UHFFFAOYSA-N
XLogP1.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylsulfonylbenzoyl)-N-prop-2-enylpyrazolidine-1-carboxamide
CID 3825267
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-methylsulfonyl-N-prop-2-enylbenzamide (CID 31301978) is 2-methylsulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-methylsulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-methylsulfonyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-prop-2-enylbenzamide?
The InChIKey is AOWSXYOJCBURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-3-8-12-11(13)9-6-4-5-7-10(9)16(2,14)15/h3-7H,1,8H2,2H3,(H,12,13).
What are the key properties of 2-methylsulfonyl-N-prop-2-enylbenzamide?
2-methylsulfonyl-N-prop-2-enylbenzamide has a molecular weight of 239.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 31301978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).