N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide

C11H14FNO2S — CID 115279924

IUPACN-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO2S/c1-3-9-13(4-2)16(14,15)11-8-6-5-7-10(11)12/h3,5-8H,1,4,9H2,2H3
InChIKeyVWJRFCBKRGEHMM-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.02
Rot. Bonds5

About N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide

N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide (PubChem CID 115279924) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
PubChem CID115279924
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC NameN-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO2S/c1-3-9-13(4-2)16(14,15)11-8-6-5-7-10(11)12/h3,5-8H,1,4,9H2,2H3
InChIKeyVWJRFCBKRGEHMM-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528768
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 80675750
N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 54987311
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
CID 115640458
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975
2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
CID 143860184
N-ethyl-5-(ethylaminomethyl)-2,3-difluoro-N-prop-2-enylbenzenesulfonamide
CID 105123187

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide (CID 115279924) is N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide is C=CCN(CC)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is VWJRFCBKRGEHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-3-9-13(4-2)16(14,15)11-8-6-5-7-10(11)12/h3,5-8H,1,4,9H2,2H3.
What are the key properties of N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide?
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 243.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 115279924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).