4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide

C14H22FNO2S — CID 106328497

IUPAC4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H22FNO2S/c1-6-14(5,7-2)16-19(17,18)13-10(3)8-12(15)9-11(13)4/h8-9,16H,6-7H2,1-5H3
InChIKeyFWGOXUXDCUGKEX-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.30
Rot. Bonds5

About 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106328497) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106328497
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC Name4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H22FNO2S/c1-6-14(5,7-2)16-19(17,18)13-10(3)8-12(15)9-11(13)4/h8-9,16H,6-7H2,1-5H3
InChIKeyFWGOXUXDCUGKEX-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
2-ethyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanimidamide
CID 107329503
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
N-(1-chloro-3-methylpentan-3-yl)-2,4,6-trifluorobenzenesulfonamide
CID 106170164
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106328497) is 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is FWGOXUXDCUGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-6-14(5,7-2)16-19(17,18)13-10(3)8-12(15)9-11(13)4/h8-9,16H,6-7H2,1-5H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 287.40 g/mol, XLogP of 3.30, 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-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106328497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).