N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide

C13H17FN2O3S — CID 113052320

IUPACN-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCNS(=O)(=O)c1ccc(F)cc1)C(C)=O
InChIInChI=1S/C13H17FN2O3S/c1-3-9-16(11(2)17)10-8-15-20(18,19)13-6-4-12(14)5-7-13/h3-7,15H,1,8-10H2,2H3
InChIKeySGJDJBHHSBUQQX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.14
Rot. Bonds7

About N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide

N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide (PubChem CID 113052320) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
PubChem CID113052320
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC NameN-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCNS(=O)(=O)c1ccc(F)cc1)C(C)=O
InChIInChI=1S/C13H17FN2O3S/c1-3-9-16(11(2)17)10-8-15-20(18,19)13-6-4-12(14)5-7-13/h3-7,15H,1,8-10H2,2H3
InChIKeySGJDJBHHSBUQQX-UHFFFAOYSA-N
XLogP1.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.14
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

N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053214
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055795
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055790
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113054180
N-[2-(3-chlorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113057110
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
CID 17154050
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
CID 113052336
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-prop-2-enylacetamide
CID 113052352
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide (CID 113052320) is N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide is C=CCN(CCNS(=O)(=O)c1ccc(F)cc1)C(C)=O.
What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide?
The InChIKey is SGJDJBHHSBUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-3-9-16(11(2)17)10-8-15-20(18,19)13-6-4-12(14)5-7-13/h3-7,15H,1,8-10H2,2H3.
What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide?
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide has a molecular weight of 300.36 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 113052320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).