4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide

C14H20FNO3S — CID 107326757

IUPAC4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H20FNO3S/c1-10-8-12(15)9-11(2)14(10)20(17,18)16(3)13-4-6-19-7-5-13/h8-9,13H,4-7H2,1-3H3
InChIKeyNIKRKNMJVFKTQX-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.24
Rot. Bonds3

About 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide

4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 107326757) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID107326757
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H20FNO3S/c1-10-8-12(15)9-11(2)14(10)20(17,18)16(3)13-4-6-19-7-5-13/h8-9,13H,4-7H2,1-3H3
InChIKeyNIKRKNMJVFKTQX-UHFFFAOYSA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759
N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 110873091
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 107329077
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326745
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
3-amino-N-cyclobutyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326206
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 102920403
3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106505264
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740574
4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 103717226
3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107325531

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide (CID 107326757) is 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is NIKRKNMJVFKTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-8-12(15)9-11(2)14(10)20(17,18)16(3)13-4-6-19-7-5-13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide?
4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 107326757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).