4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C12H16FNO2S — CID 107326601

IUPAC4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C12H16FNO2S/c1-8(2)7-14-17(15,16)12-9(3)5-11(13)6-10(12)4/h5-6,14H,1,7H2,2-4H3
InChIKeyFGWMMBCWAJCXNA-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.30
Rot. Bonds4

About 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 107326601) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID107326601
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C12H16FNO2S/c1-8(2)7-14-17(15,16)12-9(3)5-11(13)6-10(12)4/h5-6,14H,1,7H2,2-4H3
InChIKeyFGWMMBCWAJCXNA-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide
CID 107329498
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 107327408
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615093
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 107326601) is 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is FGWMMBCWAJCXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-8(2)7-14-17(15,16)12-9(3)5-11(13)6-10(12)4/h5-6,14H,1,7H2,2-4H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 107326601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).