4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide

C14H22FNO2S — CID 107326702

IUPAC4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C14H22FNO2S/c1-9(2)6-12(5)16-19(17,18)14-10(3)7-13(15)8-11(14)4/h7-9,12,16H,6H2,1-5H3
InChIKeyFWMGIYHJMOLBSG-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.16
Rot. Bonds5

About 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 107326702) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID107326702
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC Name4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)CC(C)C
InChIInChI=1S/C14H22FNO2S/c1-9(2)6-12(5)16-19(17,18)14-10(3)7-13(15)8-11(14)4/h7-9,12,16H,6H2,1-5H3
InChIKeyFWMGIYHJMOLBSG-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 107327006
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 107326444
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 107326445
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
N-(2-bromo-3-methylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329395
3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372033
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 107326702) is 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC(C)CC(C)C.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is FWMGIYHJMOLBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-9(2)6-12(5)16-19(17,18)14-10(3)7-13(15)8-11(14)4/h7-9,12,16H,6H2,1-5H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 287.40 g/mol, XLogP of 3.16, 5 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-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107326702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).