N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide

C13H18FNO2S — CID 107327365

IUPACN-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC)S(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H18FNO2S/c1-5-7-15(6-2)18(16,17)13-10(3)8-12(14)9-11(13)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyFLWDMMYZMFWEIS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.64
Rot. Bonds5

About N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide

N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 107327365) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID107327365
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC)S(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H18FNO2S/c1-5-7-15(6-2)18(16,17)13-10(3)8-12(14)9-11(13)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyFLWDMMYZMFWEIS-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.64
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

2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 19682221
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924
3-[ethyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanimidamide
CID 107329497
2-[(2-fluoro-4,6-dimethylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 166290411
4-bromo-N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528768
4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61113841
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325986
6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61112900
2-bromo-N-ethyl-5-(hydroxymethyl)-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 114363266
N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328499
N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 60754894
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide (CID 107327365) is N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide is C=CCN(CC)S(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is FLWDMMYZMFWEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-5-7-15(6-2)18(16,17)13-10(3)8-12(14)9-11(13)4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide?
N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 107327365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).